PTEROSOR/EPAWTFT
10
0
Fork 0
Code Issues Pull Requests Projects Releases Wiki Activity

little paragraph on Olsen 2019

Browse Source
This commit is contained in:
Pierre-Francois Loos 2020-11-12 15:03:25 +01:00
parent 9217469a29
commit 9672ddc43a
9 changed files with 456 additions and 330 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

57
Manuscript/EPAWTFT.aux
View File

@ -55,7 +55,7 @@
\citation{Moller_1934}
\citation{SzaboBook}
\citation{Gill_1994}
\citation{Gill_1986,Gill_1988,Handy_1985,Lepetit_1988}
\citation{Gill_1986,Gill_1988,Handy_1985,Lepetit_1988,Leininger_2000}
\citation{JensenBook}
\citation{Nesbet_1955,Epstein_1926}
\citation{Seidl_2018}
@ -89,10 +89,10 @@
\citation{Sergeev_2005}
\citation{Stillinger_2000}
\citation{Olsen_2000}
\@writefile{toc}{\contentsline {subsection}{\numberline {C}The singularity structure}{5}{section*.13}\protected@file@percent }
\newlabel{eq:HamiltonianStillinger}{{23}{5}{}{equation.3.23}{}}
\citation{Goodson_2004}
\citation{Olsen_2000}
\@writefile{toc}{\contentsline {subsection}{\numberline {C}The singularity structure}{5}{section*.13}\protected@file@percent }
\newlabel{eq:HamiltonianStillinger}{{22}{5}{}{equation.3.22}{}}
\citation{Heiss_1988,Heiss_2002,Cejnar_2005,Cejnar_2007,Cejnar_2009,Borisov_2015,Sindelka_2017}
\citation{Cejnar_2009,Sachdev_2011,Cejnar_2015,Cejnar_2016,Caprio_2008,Macek_2019}
\citation{Cejnar_2009,Sachdev_2011}
@ -148,34 +148,35 @@
\bibcite{Gill_1988}{{44}{1988}{{Gill\ \emph {et~al.}}}{{Gill, Pople, Radom,\ and\ Nobes}}}
\bibcite{Handy_1985}{{45}{1985}{{Handy\ \emph {et~al.}}}{{Handy, Knowles,\ and\ Somasundram}}}
\bibcite{Lepetit_1988}{{46}{1988}{{Lepetit\ \emph {et~al.}}}{{Lepetit, P{\'e}lissier,\ and\ Malrieu}}}
\bibcite{JensenBook}{{47}{2017}{{Jensen}}{{}}}
\bibcite{Nesbet_1955}{{48}{1955}{{Nesbet\ and\ Hartree}}{{}}}
\bibcite{Epstein_1926}{{49}{1926}{{Epstein}}{{}}}
\bibcite{Seidl_2018}{{50}{2018}{{Seidl\ \emph {et~al.}}}{{Seidl, Giarrusso, Vuckovic, Fabiano,\ and\ Gori-Giorgi}}}
\bibcite{Cremer_1996}{{51}{1996}{{Cremer\ and\ He}}{{}}}
\bibcite{Christiansen_1996}{{52}{1996}{{Christiansen\ \emph {et~al.}}}{{Christiansen, Olsen, J{\o }rgensen, Koch,\ and\ Malmqvist}}}
\bibcite{Sergeev_2005}{{53}{2005}{{Sergeev\ \emph {et~al.}}}{{Sergeev, Goodson, Wheeler,\ and\ Allen}}}
\bibcite{Sergeev_2006}{{54}{2006}{{Sergeev\ and\ Goodson}}{{}}}
\bibcite{Stillinger_2000}{{55}{2000}{{Stillinger}}{{}}}
\bibcite{Baker_1971}{{56}{1971}{{{Baker}}}{{}}}
\bibcite{Goodson_2004}{{57}{2004}{{Goodson\ and\ Sergeev}}{{}}}
\bibcite{Heiss_2002}{{58}{2002}{{Heiss\ and\ M{\"u}ller}}{{}}}
\bibcite{Leininger_2000}{{47}{2000}{{Leininger\ \emph {et~al.}}}{{Leininger, Allen, Schaefer,\ and\ Sherrill}}}
\bibcite{JensenBook}{{48}{2017}{{Jensen}}{{}}}
\bibcite{Nesbet_1955}{{49}{1955}{{Nesbet\ and\ Hartree}}{{}}}
\bibcite{Epstein_1926}{{50}{1926}{{Epstein}}{{}}}
\bibcite{Seidl_2018}{{51}{2018}{{Seidl\ \emph {et~al.}}}{{Seidl, Giarrusso, Vuckovic, Fabiano,\ and\ Gori-Giorgi}}}
\@writefile{toc}{\contentsline {section}{\numberline {}Acknowledgments}{7}{section*.16}\protected@file@percent }
\@writefile{toc}{\contentsline {section}{\numberline {}References}{7}{section*.17}\protected@file@percent }
\bibcite{Cejnar_2005}{{59}{2005}{{Cejnar\ \emph {et~al.}}}{{Cejnar, Heinze,\ and\ Dobe{\v s}}}}
\bibcite{Cejnar_2007}{{60}{2007}{{Cejnar\ \emph {et~al.}}}{{Cejnar, Heinze,\ and\ Macek}}}
\bibcite{Cejnar_2009}{{61}{2009}{{Cejnar\ and\ Jolie}}{{}}}
\bibcite{Borisov_2015}{{62}{2015}{{Borisov\ \emph {et~al.}}}{{Borisov, Ru{\v z}i{\v c}ka,\ and\ Znojil}}}
\bibcite{Sindelka_2017}{{63}{2017}{{{\v S}indelka\ \emph {et~al.}}}{{{\v S}indelka, Santos,\ and\ Moiseyev}}}
\bibcite{Sachdev_2011}{{64}{2011}{{Sachdev}}{{}}}
\bibcite{Cejnar_2015}{{65}{2015}{{Cejnar\ \emph {et~al.}}}{{Cejnar, Str{\'a}nsk{\'y},\ and\ Kloc}}}
\bibcite{Cejnar_2016}{{66}{2016}{{Cejnar\ and\ Str{\'a}nsk{\'y}}}{{}}}
\bibcite{Caprio_2008}{{67}{2008}{{Caprio\ \emph {et~al.}}}{{Caprio, Cejnar,\ and\ Iachello}}}
\bibcite{Macek_2019}{{68}{2019}{{Macek\ \emph {et~al.}}}{{Macek, Str{\'a}nsk{\'y}, Leviatan,\ and\ Cejnar}}}
\bibcite{Stransky_2018}{{69}{2018}{{Str{\'a}nsk{\'y}\ \emph {et~al.}}}{{Str{\'a}nsk{\'y}, Dvo{\v r}{\'a}k,\ and\ Cejnar}}}
\bibcite{Lipkin_1965}{{70}{1965}{{Lipkin\ \emph {et~al.}}}{{Lipkin, Meshkov,\ and\ Glick}}}
\bibcite{Cremer_1996}{{52}{1996}{{Cremer\ and\ He}}{{}}}
\bibcite{Christiansen_1996}{{53}{1996}{{Christiansen\ \emph {et~al.}}}{{Christiansen, Olsen, J{\o }rgensen, Koch,\ and\ Malmqvist}}}
\bibcite{Sergeev_2005}{{54}{2005}{{Sergeev\ \emph {et~al.}}}{{Sergeev, Goodson, Wheeler,\ and\ Allen}}}
\bibcite{Sergeev_2006}{{55}{2006}{{Sergeev\ and\ Goodson}}{{}}}
\bibcite{Stillinger_2000}{{56}{2000}{{Stillinger}}{{}}}
\bibcite{Baker_1971}{{57}{1971}{{{Baker}}}{{}}}
\bibcite{Goodson_2004}{{58}{2004}{{Goodson\ and\ Sergeev}}{{}}}
\bibcite{Heiss_2002}{{59}{2002}{{Heiss\ and\ M{\"u}ller}}{{}}}
\bibcite{Cejnar_2005}{{60}{2005}{{Cejnar\ \emph {et~al.}}}{{Cejnar, Heinze,\ and\ Dobe{\v s}}}}
\bibcite{Cejnar_2007}{{61}{2007}{{Cejnar\ \emph {et~al.}}}{{Cejnar, Heinze,\ and\ Macek}}}
\bibcite{Cejnar_2009}{{62}{2009}{{Cejnar\ and\ Jolie}}{{}}}
\bibcite{Borisov_2015}{{63}{2015}{{Borisov\ \emph {et~al.}}}{{Borisov, Ru{\v z}i{\v c}ka,\ and\ Znojil}}}
\bibcite{Sindelka_2017}{{64}{2017}{{{\v S}indelka\ \emph {et~al.}}}{{{\v S}indelka, Santos,\ and\ Moiseyev}}}
\bibcite{Sachdev_2011}{{65}{2011}{{Sachdev}}{{}}}
\bibcite{Cejnar_2015}{{66}{2015}{{Cejnar\ \emph {et~al.}}}{{Cejnar, Str{\'a}nsk{\'y},\ and\ Kloc}}}
\bibcite{Cejnar_2016}{{67}{2016}{{Cejnar\ and\ Str{\'a}nsk{\'y}}}{{}}}
\bibcite{Caprio_2008}{{68}{2008}{{Caprio\ \emph {et~al.}}}{{Caprio, Cejnar,\ and\ Iachello}}}
\bibcite{Macek_2019}{{69}{2019}{{Macek\ \emph {et~al.}}}{{Macek, Str{\'a}nsk{\'y}, Leviatan,\ and\ Cejnar}}}
\bibcite{Stransky_2018}{{70}{2018}{{Str{\'a}nsk{\'y}\ \emph {et~al.}}}{{Str{\'a}nsk{\'y}, Dvo{\v r}{\'a}k,\ and\ Cejnar}}}
\bibcite{Lipkin_1965}{{71}{1965}{{Lipkin\ \emph {et~al.}}}{{Lipkin, Meshkov,\ and\ Glick}}}
\bibstyle{apsrev4-1}
\citation{REVTEX41Control}
\citation{apsrev41Control}
\newlabel{LastBibItem}{{70}{8}{}{section*.17}{}}
\newlabel{LastBibItem}{{71}{8}{}{section*.17}{}}
\newlabel{LastPage}{{}{8}{}{}{}}

15
Manuscript/EPAWTFT.bbl
View File

@ -6,7 +6,7 @@
%Control: page (0) single
%Control: year (1) truncated
%Control: production of eprint (0) enabled
\begin{thebibliography}{70}%
\begin{thebibliography}{71}%
\makeatletter
\providecommand \@ifxundefined [1]{%
\@ifx{#1\undefined}
@ -521,6 +521,19 @@
{journal} {\bibinfo {journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume}
{89}},\ \bibinfo {pages} {998} (\bibinfo {year} {1988})}\BibitemShut
{NoStop}%
\bibitem [{\citenamefont {Leininger}\ \emph {et~al.}(2000)\citenamefont
{Leininger}, \citenamefont {Allen}, \citenamefont {Schaefer},\ and\
\citenamefont {Sherrill}}]{Leininger_2000}%
\BibitemOpen
\bibfield {author} {\bibinfo {author} {\bibfnamefont {M.~L.}\ \bibnamefont
{Leininger}}, \bibinfo {author} {\bibfnamefont {W.~D.}\ \bibnamefont
{Allen}}, \bibinfo {author} {\bibfnamefont {H.~F.}\ \bibnamefont {Schaefer}},
\ and\ \bibinfo {author} {\bibfnamefont {C.~D.}\ \bibnamefont {Sherrill}},\
}\href {\doibase 10.1063/1.481764} {\bibfield {journal} {\bibinfo {journal}
{The Journal of Chemical Physics}\ }\textbf {\bibinfo {volume} {112}},\
\bibinfo {pages} {9213} (\bibinfo {year} {2000})},\ \Eprint
{http://arxiv.org/abs/https://doi.org/10.1063/1.481764}
{https://doi.org/10.1063/1.481764} \BibitemShut {NoStop}%
\bibitem [{\citenamefont {Jensen}(2017)}]{JensenBook}%
\BibitemOpen
\bibfield {author} {\bibinfo {author} {\bibfnamefont {F.}~\bibnamefont

28
Manuscript/EPAWTFT.bib
View File

@ -1,13 +1,28 @@
%% This BibTeX bibliography file was created using BibDesk.
%% http://bibdesk.sourceforge.net/
%% Created for Pierre-Francois Loos at 2020-11-12 10:02:40 +0100
%% Created for Pierre-Francois Loos at 2020-11-12 14:54:07 +0100
%% Saved with string encoding Unicode (UTF-8)
@article{Leininger_2000,
author = {Leininger,Matthew L. and Allen,Wesley D. and Schaefer,Henry F. and Sherrill,C. David},
date-added = {2020-11-12 14:50:57 +0100},
date-modified = {2020-11-12 14:51:07 +0100},
doi = {10.1063/1.481764},
eprint = {https://doi.org/10.1063/1.481764},
journal = {The Journal of Chemical Physics},
number = {21},
pages = {9213-9222},
title = {Is Mo/ller--Plesset perturbation theory a convergent ab initio method?},
url = {https://doi.org/10.1063/1.481764},
volume = {112},
year = {2000},
Bdsk-Url-1 = {https://doi.org/10.1063/1.481764}}
@article{Nesbet_1955,
abstract = { A systematic method is developed for estimating or calculating corrections for configuration interaction in atomic, molecular and nuclear wave-function calculations. Solutions of the Hartree-Fock equations for a single Slater determinant or approximate Hartree-Fock solutions obtained by Roothaan's iterative procedure have special properties which are used to simplify the matrix of the many-particle Hamiltonian. A restricted self-consistent field method is proposed for treating states of low symmetry. This method avoids the off-diagonal Lagrange multipliers encountered in previous methods and is adapted to configuration interaction calculations. },
author = {Nesbet, R. K. and Hartree, Douglas Rayner},
@ -240,17 +255,6 @@
year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5110554}}
@article{Leininger_2000,
author = {Leininger, Matthew L. and Allen, Wesley D. and Schaefer, Henry F. and Sherrill, C. David},
date = {2000-05-17},
doi = {10.1063/1.481764},
journal = {J. Chem. Phys.},
number = {21},
pages = {9213--9222},
title = {Is {M{\o}ller-Plesset} perturbation theory a convergent ab initio method?},
volume = {112},
Bdsk-Url-1 = {https://doi.org/10.1063/1.481764}}
@article{Moller_1934,
author = {M{\o}ller, Chr. and Plesset, M. S.},
date = {1934-10-01},

64
Manuscript/EPAWTFT.blg
View File

@ -23,45 +23,45 @@ Control: production of article title (-1) disabled
Control: page (0) single
Control: year (1) truncated
Control: production of eprint (0) enabled
You've used 72 entries,
You've used 73 entries,
5847 wiz_defined-function locations,
2133 strings with 28024 characters,
and the built_in function-call counts, 70033 in all, are:
= -- 4473
> -- 1850
< -- 481
+ -- 585
- -- 453
* -- 10828
:= -- 6899
add.period$ -- 70
call.type$ -- 72
change.case$ -- 282
chr.to.int$ -- 78
cite$ -- 72
duplicate$ -- 6517
empty$ -- 5216
format.name$ -- 1078
if$ -- 13975
2142 strings with 28296 characters,
and the built_in function-call counts, 71165 in all, are:
= -- 4543
> -- 1883
< -- 488
+ -- 595
- -- 461
* -- 11019
:= -- 7005
add.period$ -- 71
call.type$ -- 73
change.case$ -- 286
chr.to.int$ -- 79
cite$ -- 73
duplicate$ -- 6622
empty$ -- 5299
format.name$ -- 1097
if$ -- 14200
int.to.chr$ -- 3
int.to.str$ -- 79
missing$ -- 860
newline$ -- 262
num.names$ -- 210
pop$ -- 2686
int.to.str$ -- 80
missing$ -- 873
newline$ -- 265
num.names$ -- 213
pop$ -- 2728
preamble$ -- 1
purify$ -- 350
purify$ -- 355
quote$ -- 0
skip$ -- 2570
skip$ -- 2608
stack$ -- 0
substring$ -- 1863
swap$ -- 6176
text.length$ -- 219
substring$ -- 1889
swap$ -- 6281
text.length$ -- 223
text.prefix$ -- 0
top$ -- 10
type$ -- 993
type$ -- 1008
warning$ -- 1
while$ -- 215
while$ -- 218
width$ -- 0
write$ -- 606
write$ -- 615
(There was 1 warning)

605
Manuscript/EPAWTFT.log
View File

@ -1,4 +1,4 @@
This is pdfTeX, Version 3.14159265-2.6-1.40.21 (TeX Live 2020) (preloaded format=pdflatex 2020.6.14) 12 NOV 2020 14:32
This is pdfTeX, Version 3.14159265-2.6-1.40.21 (TeX Live 2020) (preloaded format=pdflatex 2020.6.14) 12 NOV 2020 15:03
entering extended mode
restricted \write18 enabled.
file:line:error style messages enabled.
@ -125,8 +125,8 @@ File: pdftex.def 2018/01/08 v1.0l Graphics/color driver for pdftex
\Gin@req@height=\dimen134
\Gin@req@width=\dimen135
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/tools/dcolumn.sty
Package: dcolumn 2014/10/28 v1.06 decimal alignment package (DPC)
(/usr/local/texlive/2020/texmf-dist/tex/latex/tools/tabularx.sty
Package: tabularx 2020/01/15 v2.11c `tabularx' package (DPC)
(/usr/local/texlive/2020/texmf-dist/tex/latex/tools/array.sty
Package: array 2019/08/31 v2.4l Tabular extension package (FMi)
@ -137,14 +137,55 @@ Package: array 2019/08/31 v2.4l Tabular extension package (FMi)
\extratabsurround=\skip52
\backup@length=\skip53
\ar@cellbox=\box61
))
(/usr/local/texlive/2020/texmf-dist/tex/latex/tools/bm.sty
Package: bm 2019/07/24 v1.2d Bold Symbol Support (DPC/FMi)
\symboldoperators=\mathgroup4
\symboldletters=\mathgroup5
\symboldsymbols=\mathgroup6
LaTeX Font Info: Redeclaring math alphabet \mathbf on input line 141.
LaTeX Info: Redefining \bm on input line 209.
)
\TX@col@width=\dimen138
\TX@old@table=\dimen139
\TX@old@col=\dimen140
\TX@target=\dimen141
\TX@delta=\dimen142
\TX@cols=\count183
\TX@ftn=\toks19
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/booktabs/booktabs.sty
Package: booktabs 2020/01/12 v1.61803398 Publication quality tables
\heavyrulewidth=\dimen143
\lightrulewidth=\dimen144
\cmidrulewidth=\dimen145
\belowrulesep=\dimen146
\belowbottomsep=\dimen147
\aboverulesep=\dimen148
\abovetopsep=\dimen149
\cmidrulesep=\dimen150
\cmidrulekern=\dimen151
\defaultaddspace=\dimen152
\@cmidla=\count184
\@cmidlb=\count185
\@aboverulesep=\dimen153
\@belowrulesep=\dimen154
\@thisruleclass=\count186
\@lastruleclass=\count187
\@thisrulewidth=\dimen155
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/tools/longtable.sty
Package: longtable 2020/01/07 v4.13 Multi-page Table package (DPC)
\LTleft=\skip54
\LTright=\skip55
\LTpre=\skip56
\LTpost=\skip57
\LTchunksize=\count188
\LTcapwidth=\dimen156
\LT@head=\box62
\LT@firsthead=\box63
\LT@foot=\box64
\LT@lastfoot=\box65
\LT@cols=\count189
\LT@rows=\count190
\c@LT@tables=\count191
\c@LT@chunks=\count192
\LT@p@ftn=\toks20
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/tools/dcolumn.sty
Package: dcolumn 2014/10/28 v1.06 decimal alignment package (DPC)
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/xcolor/xcolor.sty
Package: xcolor 2016/05/11 v2.12 LaTeX color extensions (UK)
@ -165,19 +206,19 @@ Package xcolor Info: Model `wave' substituted by `hsb' on input line 1371.
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/microtype/microtype.sty
Package: microtype 2019/11/18 v2.7d Micro-typographical refinements (RS)
\MT@toks=\toks19
\MT@count=\count183
\MT@toks=\toks21
\MT@count=\count193
LaTeX Info: Redefining \textls on input line 790.
\MT@outer@kern=\dimen138
\MT@outer@kern=\dimen157
LaTeX Info: Redefining \textmicrotypecontext on input line 1354.
\MT@listname@count=\count184
\MT@listname@count=\count194
(/usr/local/texlive/2020/texmf-dist/tex/latex/microtype/microtype-pdftex.def
File: microtype-pdftex.def 2019/11/18 v2.7d Definitions specific to pdftex (RS)
LaTeX Info: Redefining \lsstyle on input line 914.
LaTeX Info: Redefining \lslig on input line 914.
\MT@outer@space=\skip54
\MT@outer@space=\skip58
)
Package microtype Info: Loading configuration file microtype.cfg.
@ -186,27 +227,27 @@ File: microtype.cfg 2019/11/18 v2.7d microtype main configuration file (RS)
))
(/usr/local/texlive/2020/texmf-dist/tex/latex/multirow/multirow.sty
Package: multirow 2019/05/31 v2.5 Span multiple rows of a table
\multirow@colwidth=\skip55
\multirow@cntb=\count185
\multirow@dima=\skip56
\bigstrutjot=\dimen139
\multirow@colwidth=\skip59
\multirow@cntb=\count195
\multirow@dima=\skip60
\bigstrutjot=\dimen158
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/amsmath/amscd.sty
Package: amscd 2017/04/14 v2.1 AMS Commutative Diagrams
(/usr/local/texlive/2020/texmf-dist/tex/latex/amsmath/amsgen.sty
File: amsgen.sty 1999/11/30 v2.0 generic functions
\@emptytoks=\toks20
\ex@=\dimen140
\@emptytoks=\toks22
\ex@=\dimen159
)
\athelp@=\toks21
\minaw@=\dimen141
\bigaw@=\dimen142
\minCDarrowwidth=\dimen143
\athelp@=\toks23
\minaw@=\dimen160
\bigaw@=\dimen161
\minCDarrowwidth=\dimen162
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/amsmath/amsmath.sty
Package: amsmath 2020/01/20 v2.17e AMS math features
\@mathmargin=\skip57
\@mathmargin=\skip61
For additional information on amsmath, use the `?' option.
(/usr/local/texlive/2020/texmf-dist/tex/latex/amsmath/amstext.sty
@ -215,47 +256,46 @@ LaTeX Info: Redefining \text on input line 28.
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/amsmath/amsbsy.sty
Package: amsbsy 1999/11/29 v1.2d Bold Symbols
LaTeX Info: Redefining \boldsymbol on input line 28.
\pmbraise@=\dimen144
\pmbraise@=\dimen163
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/amsmath/amsopn.sty
Package: amsopn 2016/03/08 v2.02 operator names
)
\inf@bad=\count186
\inf@bad=\count196
LaTeX Info: Redefining \frac on input line 227.
\uproot@=\count187
\leftroot@=\count188
\uproot@=\count197
\leftroot@=\count198
LaTeX Info: Redefining \overline on input line 389.
\classnum@=\count189
\DOTSCASE@=\count190
\classnum@=\count199
\DOTSCASE@=\count266
LaTeX Info: Redefining \ldots on input line 486.
LaTeX Info: Redefining \dots on input line 489.
LaTeX Info: Redefining \cdots on input line 610.
\Mathstrutbox@=\box62
\strutbox@=\box63
\big@size=\dimen145
\Mathstrutbox@=\box66
\strutbox@=\box67
\big@size=\dimen164
LaTeX Font Info: Redeclaring font encoding OML on input line 733.
LaTeX Font Info: Redeclaring font encoding OMS on input line 734.
\macc@depth=\count191
\c@MaxMatrixCols=\count192
\macc@depth=\count267
\c@MaxMatrixCols=\count268
\dotsspace@=\muskip17
\c@parentequation=\count193
\dspbrk@lvl=\count194
\tag@help=\toks22
\row@=\count195
\column@=\count196
\maxfields@=\count197
\andhelp@=\toks23
\eqnshift@=\dimen146
\alignsep@=\dimen147
\tagshift@=\dimen148
\tagwidth@=\dimen149
\totwidth@=\dimen150
\lineht@=\dimen151
\@envbody=\toks24
\multlinegap=\skip58
\multlinetaggap=\skip59
\mathdisplay@stack=\toks25
\c@parentequation=\count269
\dspbrk@lvl=\count270
\tag@help=\toks24
\row@=\count271
\column@=\count272
\maxfields@=\count273
\andhelp@=\toks25
\eqnshift@=\dimen165
\alignsep@=\dimen166
\tagshift@=\dimen167
\tagwidth@=\dimen168
\totwidth@=\dimen169
\lineht@=\dimen170
\@envbody=\toks26
\multlinegap=\skip62
\multlinetaggap=\skip63
\mathdisplay@stack=\toks27
LaTeX Info: Redefining \[ on input line 2859.
LaTeX Info: Redefining \] on input line 2860.
)
@ -264,8 +304,8 @@ Package: amssymb 2013/01/14 v3.01 AMS font symbols
(/usr/local/texlive/2020/texmf-dist/tex/latex/amsfonts/amsfonts.sty
Package: amsfonts 2013/01/14 v3.01 Basic AMSFonts support
\symAMSa=\mathgroup7
\symAMSb=\mathgroup8
\symAMSa=\mathgroup4
\symAMSb=\mathgroup5
LaTeX Font Info: Redeclaring math symbol \hbar on input line 98.
LaTeX Font Info: Overwriting math alphabet `\mathfrak' in version `bold'
(Font) U/euf/m/n --> U/euf/b/n on input line 106.
@ -281,34 +321,120 @@ Package: expl3 2020-06-03 L3 programming layer (loader)
(/usr/local/texlive/2020/texmf-dist/tex/latex/l3backend/l3backend-pdfmode.def
File: l3backend-pdfmode.def 2020-06-03 L3 backend support: PDF mode
\l__kernel_color_stack_int=\count198
\l__pdf_internal_box=\box64
\l__kernel_color_stack_int=\count274
\l__pdf_internal_box=\box68
))
Package: xparse 2020-05-15 L3 Experimental document command parser
(/usr/local/texlive/2020/texmf-dist/tex/latex/l3packages/xparse/xparse-generic.
tex
\l__xparse_current_arg_int=\count199
\g__xparse_grabber_int=\count266
\l__xparse_m_args_int=\count267
\l__xparse_v_nesting_int=\count268
))) (/usr/local/texlive/2020/texmf-dist/tex/latex/tools/longtable.sty
Package: longtable 2020/01/07 v4.13 Multi-page Table package (DPC)
\LTleft=\skip60
\LTright=\skip61
\LTpre=\skip62
\LTpost=\skip63
\LTchunksize=\count269
\LTcapwidth=\dimen152
\LT@head=\box65
\LT@firsthead=\box66
\LT@foot=\box67
\LT@lastfoot=\box68
\LT@cols=\count270
\LT@rows=\count271
\c@LT@tables=\count272
\c@LT@chunks=\count273
\LT@p@ftn=\toks26
\l__xparse_current_arg_int=\count275
\g__xparse_grabber_int=\count276
\l__xparse_m_args_int=\count277
\l__xparse_v_nesting_int=\count278
))) (/usr/local/texlive/2020/texmf-dist/tex/latex/siunitx/siunitx.sty
Package: siunitx 2020/02/25 v2.8b A comprehensive (SI) units package
(/usr/local/texlive/2020/texmf-dist/tex/latex/l3packages/l3keys2e/l3keys2e.sty
Package: l3keys2e 2020-05-15 LaTeX2e option processing using LaTeX3 keys
)
\l__siunitx_tmp_box=\box69
\l__siunitx_tmp_dim=\dimen171
\l__siunitx_tmp_int=\count279
\l__siunitx_number_mantissa_length_int=\count280
\l__siunitx_number_uncert_length_int=\count281
\l__siunitx_round_int=\count282
\l__siunitx_process_decimal_int=\count283
\l__siunitx_process_uncertainty_int=\count284
\l__siunitx_process_fixed_int=\count285
\l__siunitx_process_integer_min_int=\count286
\l__siunitx_process_precision_int=\count287
\l__siunitx_group_min_int=\count288
\l__siunitx_angle_marker_box=\box70
\l__siunitx_angle_unit_box=\box71
\l__siunitx_angle_marker_dim=\dimen172
\l__siunitx_angle_unit_dim=\dimen173
\l__siunitx_unit_int=\count289
\l__siunitx_unit_denominator_int=\count290
\l__siunitx_unit_numerator_int=\count291
\l__siunitx_unit_prefix_int=\count292
\l__siunitx_unit_prefix_base_int=\count293
\l__siunitx_unit_prefix_gram_int=\count294
\l__siunitx_number_product_int=\count295
\c__siunitx_one_fill_skip=\skip64
\l__siunitx_table_unit_align_skip=\skip65
\l__siunitx_table_exponent_dim=\dimen174
\l__siunitx_table_integer_dim=\dimen175
\l__siunitx_table_mantissa_dim=\dimen176
\l__siunitx_table_marker_dim=\dimen177
\l__siunitx_table_result_dim=\dimen178
\l__siunitx_table_uncert_dim=\dimen179
\l__siunitx_table_fill_pre_dim=\dimen180
\l__siunitx_table_fill_post_dim=\dimen181
\l__siunitx_table_fill_mid_dim=\dimen182
\l__siunitx_table_pre_box=\box72
\l__siunitx_table_post_box=\box73
\l__siunitx_table_mantissa_box=\box74
\l__siunitx_table_result_box=\box75
\l__siunitx_table_number_align_skip=\skip66
\l__siunitx_table_text_align_skip=\skip67
(/usr/local/texlive/2020/texmf-dist/tex/latex/translator/translator.sty
Package: translator 2019-05-31 v1.12a Easy translation of strings in LaTeX
))
(/usr/local/texlive/2020/texmf-dist/tex/latex/mhchem/mhchem.sty
Package: mhchem 2018/06/22 v4.08 for typesetting chemical formulae
(/usr/local/texlive/2020/texmf-dist/tex/latex/tools/calc.sty
Package: calc 2017/05/25 v4.3 Infix arithmetic (KKT,FJ)
\calc@Acount=\count296
\calc@Bcount=\count297
\calc@Adimen=\dimen183
\calc@Bdimen=\dimen184
\calc@Askip=\skip68
\calc@Bskip=\skip69
LaTeX Info: Redefining \setlength on input line 80.
LaTeX Info: Redefining \addtolength on input line 81.
\calc@Ccount=\count298
\calc@Cskip=\skip70
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/chemgreek/chemgreek.sty
Package: chemgreek 2020/01/16 v1.1a interface for upright Greek letters for use
in chemistry (CN)
\l__chemgreek_tmpa_int=\count299
\g__chemgreek_tmpa_int=\count300
)
\l__mhchem_ce_distanceFromLastComma_int=\count301
\__mhchem_arrow_extPgfLength_skip=\skip71
\mhchem@minispace@tmp=\skip72
\mhchem@minibackspace@tmp=\skip73
\mhchem@bondwidth=\skip74
\mhchem@bondheight=\skip75
\mhchem@smallbondwidth@tmpA=\skip76
\mhchem@smallbondwidth@tmpB=\skip77
\mhchem@smallbondwidth=\skip78
\mhchem@bondtmp@minussidebearingleft=\skip79
\mhchem@bondtmp@minussidebearingright=\skip80
\l__mhchem_option_version_int=\count302
\mhchem@option@minusmathsidebearingleft=\dimen185
\mhchem@option@minusmathsidebearingright=\dimen186
\mhchem@option@minustextsidebearingleft=\dimen187
\mhchem@option@minustextsidebearingright=\dimen188
Package mhchem Warning: You did not specify a 'version' option for the mhchem
(mhchem) package. Please write \usepackage[version=4]{mhchem}
(mhchem) in your preamble (or any lower number for
(mhchem) compatibility mode), because you might get slightly
(mhchem) different output with the same input in future versions
.
) (/usr/local/texlive/2020/texmf-dist/tex/latex/base/inputenc.sty
Package: inputenc 2018/08/11 v1.3c Input encoding file
\inpenc@prehook=\toks28
\inpenc@posthook=\toks29
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/base/fontenc.sty
Package: fontenc 2020/02/11 v2.0o Standard LaTeX package
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/txfonts.sty
Package: txfonts 2008/01/22 v3.2.1
@ -319,10 +445,14 @@ LaTeX Font Info: Overwriting symbol font `operators' in version `bold'
(Font) OT1/cmr/bx/n --> OT1/txr/m/n on input line 21.
LaTeX Font Info: Overwriting symbol font `operators' in version `bold'
(Font) OT1/txr/m/n --> OT1/txr/bx/n on input line 22.
\symitalic=\mathgroup9
\symitalic=\mathgroup6
LaTeX Font Info: Overwriting symbol font `italic' in version `bold'
(Font) OT1/txr/m/it --> OT1/txr/bx/it on input line 26.
LaTeX Font Info: Redeclaring math alphabet \mathbf on input line 29.
LaTeX Font Info: Overwriting math alphabet `\mathbf' in version `normal'
(Font) OT1/cmr/bx/n --> OT1/txr/bx/n on input line 29.
LaTeX Font Info: Overwriting math alphabet `\mathbf' in version `bold'
(Font) OT1/cmr/bx/n --> OT1/txr/bx/n on input line 29.
LaTeX Font Info: Redeclaring math alphabet \mathit on input line 30.
LaTeX Font Info: Overwriting math alphabet `\mathit' in version `normal'
(Font) OT1/cmr/m/it --> OT1/txr/m/it on input line 30.
@ -351,7 +481,7 @@ LaTeX Font Info: Overwriting symbol font `letters' in version `bold'
(Font) OML/cmm/b/it --> OML/txmi/m/it on input line 58.
LaTeX Font Info: Overwriting symbol font `letters' in version `bold'
(Font) OML/txmi/m/it --> OML/txmi/bx/it on input line 59.
\symlettersA=\mathgroup10
\symlettersA=\mathgroup7
LaTeX Font Info: Overwriting symbol font `lettersA' in version `bold'
(Font) U/txmia/m/it --> U/txmia/bx/it on input line 67.
LaTeX Font Info: Redeclaring math alphabet \mathfrak on input line 70.
@ -376,7 +506,7 @@ LaTeX Font Info: Overwriting symbol font `AMSb' in version `bold'
(Font) U/msb/m/n --> U/txsyb/m/n on input line 102.
LaTeX Font Info: Overwriting symbol font `AMSb' in version `bold'
(Font) U/txsyb/m/n --> U/txsyb/bx/n on input line 103.
\symsymbolsC=\mathgroup11
\symsymbolsC=\mathgroup8
LaTeX Font Info: Overwriting symbol font `symbolsC' in version `bold'
(Font) U/txsyc/m/n --> U/txsyc/bx/n on input line 113.
LaTeX Font Info: Redeclaring symbol font `largesymbols' on input line 120.
@ -386,85 +516,23 @@ LaTeX Font Info: Overwriting symbol font `largesymbols' in version `bold'
(Font) OMX/cmex/m/n --> OMX/txex/m/n on input line 120.
LaTeX Font Info: Overwriting symbol font `largesymbols' in version `bold'
(Font) OMX/txex/m/n --> OMX/txex/bx/n on input line 121.
\symlargesymbolsA=\mathgroup12
\symlargesymbolsA=\mathgroup9
LaTeX Font Info: Overwriting symbol font `largesymbolsA' in version `bold'
(Font) U/txexa/m/n --> U/txexa/bx/n on input line 129.
LaTeX Font Info: Redeclaring math symbol \mathsterling on input line 164.
LaTeX Info: Redefining \not on input line 1043.
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/mhchem/mhchem.sty
Package: mhchem 2018/06/22 v4.08 for typesetting chemical formulae
(/usr/local/texlive/2020/texmf-dist/tex/latex/l3packages/l3keys2e/l3keys2e.sty
Package: l3keys2e 2020-05-15 LaTeX2e option processing using LaTeX3 keys
) (/usr/local/texlive/2020/texmf-dist/tex/latex/tools/calc.sty
Package: calc 2017/05/25 v4.3 Infix arithmetic (KKT,FJ)
\calc@Acount=\count274
\calc@Bcount=\count275
\calc@Adimen=\dimen153
\calc@Bdimen=\dimen154
\calc@Askip=\skip64
\calc@Bskip=\skip65
LaTeX Info: Redefining \setlength on input line 80.
LaTeX Info: Redefining \addtolength on input line 81.
\calc@Ccount=\count276
\calc@Cskip=\skip66
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/chemgreek/chemgreek.sty
Package: chemgreek 2020/01/16 v1.1a interface for upright Greek letters for use
in chemistry (CN)
\l__chemgreek_tmpa_int=\count277
\g__chemgreek_tmpa_int=\count278
)
\l__mhchem_ce_distanceFromLastComma_int=\count279
\__mhchem_arrow_extPgfLength_skip=\skip67
\mhchem@minispace@tmp=\skip68
\mhchem@minibackspace@tmp=\skip69
\mhchem@bondwidth=\skip70
\mhchem@bondheight=\skip71
\mhchem@smallbondwidth@tmpA=\skip72
\mhchem@smallbondwidth@tmpB=\skip73
\mhchem@smallbondwidth=\skip74
\mhchem@bondtmp@minussidebearingleft=\skip75
\mhchem@bondtmp@minussidebearingright=\skip76
\l__mhchem_option_version_int=\count280
\mhchem@option@minusmathsidebearingleft=\dimen155
\mhchem@option@minusmathsidebearingright=\dimen156
\mhchem@option@minustextsidebearingleft=\dimen157
\mhchem@option@minustextsidebearingright=\dimen158
Package mhchem Warning: You did not specify a 'version' option for the mhchem
(mhchem) package. Please write \usepackage[version=4]{mhchem}
(mhchem) in your preamble (or any lower number for
(mhchem) compatibility mode), because you might get slightly
(mhchem) different output with the same input in future versions
.
) (/usr/local/texlive/2020/texmf-dist/tex/latex/base/inputenc.sty
Package: inputenc 2018/08/11 v1.3c Input encoding file
\inpenc@prehook=\toks27
\inpenc@posthook=\toks28
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/base/fontenc.sty
Package: fontenc 2020/02/11 v2.0o Standard LaTeX package
LaTeX Font Info: Trying to load font information for T1+txr on input line 11
2.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/t1txr.fd
File: t1txr.fd 2000/12/15 v3.1
))
(/usr/local/texlive/2020/texmf-dist/tex/generic/ulem/ulem.sty
\UL@box=\box69
\UL@hyphenbox=\box70
\UL@skip=\skip77
\UL@hook=\toks29
\UL@height=\dimen159
\UL@pe=\count281
\UL@pixel=\dimen160
\ULC@box=\box71
\UL@box=\box76
\UL@hyphenbox=\box77
\UL@skip=\skip81
\UL@hook=\toks30
\UL@height=\dimen189
\UL@pe=\count303
\UL@pixel=\dimen190
\ULC@box=\box78
Package: ulem 2019/11/18
\ULdepth=\dimen161
\ULdepth=\dimen191
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/hyperref/hyperref.sty
Package: hyperref 2020-05-15 v7.00e Hypertext links for LaTeX
@ -507,9 +575,9 @@ Package: auxhook 2019-12-17 v1.6 Hooks for auxiliary files (HO)
(/usr/local/texlive/2020/texmf-dist/tex/latex/kvoptions/kvoptions.sty
Package: kvoptions 2019/11/29 v3.13 Key value format for package options (HO)
)
\@linkdim=\dimen162
\Hy@linkcounter=\count282
\Hy@pagecounter=\count283
\@linkdim=\dimen192
\Hy@linkcounter=\count304
\Hy@pagecounter=\count305
(/usr/local/texlive/2020/texmf-dist/tex/latex/hyperref/pd1enc.def
File: pd1enc.def 2020-05-15 v7.00e Hyperref: PDFDocEncoding definition (HO)
@ -522,7 +590,7 @@ Package: intcalc 2019/12/15 v1.3 Expandable calculations with integers (HO)
(/usr/local/texlive/2020/texmf-dist/tex/generic/etexcmds/etexcmds.sty
Package: etexcmds 2019/12/15 v1.7 Avoid name clashes with e-TeX commands (HO)
)
\Hy@SavedSpaceFactor=\count284
\Hy@SavedSpaceFactor=\count306
Package hyperref Info: Option `colorlinks' set `true' on input line 4338.
Package hyperref Info: Option `breaklinks' set `true' on input line 4338.
Package hyperref Info: Hyper figures OFF on input line 4464.
@ -533,9 +601,9 @@ Package hyperref Info: Backreferencing OFF on input line 4484.
Package hyperref Info: Implicit mode ON; LaTeX internals redefined.
Package hyperref Info: Bookmarks ON on input line 4717.
LaTeX Info: Redefining \href on input line 4987.
\c@Hy@tempcnt=\count285
\c@Hy@tempcnt=\count307
LaTeX Info: Redefining \url on input line 5076.
\XeTeXLinkMargin=\dimen163
\XeTeXLinkMargin=\dimen193
(/usr/local/texlive/2020/texmf-dist/tex/generic/bitset/bitset.sty
Package: bitset 2019/12/09 v1.3 Handle bit-vector datatype (HO)
@ -544,9 +612,9 @@ Package: bitset 2019/12/09 v1.3 Handle bit-vector datatype (HO)
Package: bigintcalc 2019/12/15 v1.5 Expandable calculations on big integers (HO
)
))
\Fld@menulength=\count286
\Field@Width=\dimen164
\Fld@charsize=\dimen165
\Fld@menulength=\count308
\Field@Width=\dimen194
\Fld@charsize=\dimen195
Package hyperref Info: Hyper figures OFF on input line 6347.
Package hyperref Info: Link nesting OFF on input line 6352.
Package hyperref Info: Hyper index ON on input line 6355.
@ -560,9 +628,9 @@ LaTeX Info: Redefining \pageref on input line 6421.
(/usr/local/texlive/2020/texmf-dist/tex/generic/atbegshi/atbegshi.sty
Package: atbegshi 2019/12/05 v1.19 At begin shipout hook (HO)
)
\Hy@abspage=\count287
\c@Item=\count288
\c@Hfootnote=\count289
\Hy@abspage=\count309
\c@Item=\count310
\c@Hfootnote=\count311
)
Package hyperref Info: Driver (autodetected): hpdftex.
@ -572,8 +640,8 @@ File: hpdftex.def 2020-05-15 v7.00e Hyperref driver for pdfTeX
(/usr/local/texlive/2020/texmf-dist/tex/latex/atveryend/atveryend.sty
Package: atveryend 2019-12-11 v1.11 Hooks at the very end of document (HO)
)
\Fld@listcount=\count290
\c@bookmark@seq@number=\count291
\Fld@listcount=\count312
\c@bookmark@seq@number=\count313
(/usr/local/texlive/2020/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty
Package: rerunfilecheck 2019/12/05 v1.9 Rerun checks for auxiliary files (HO)
@ -584,72 +652,77 @@ Package: uniquecounter 2019/12/15 v1.4 Provide unlimited unique counter (HO)
Package uniquecounter Info: New unique counter `rerunfilecheck' on input line 2
86.
)
\Hy@SectionHShift=\skip78
\Hy@SectionHShift=\skip82
)
Class revtex4-1 Info: Unrecognized array package. Please update this document c
lass! (Proceeding with fingers crossed.) on input line 75.
lass! (Proceeding with fingers crossed.) on input line 73.
Class revtex4-1 Info: Patching unrecognized longtable package. (Proceeding with
fingers crossed) on input line 75.
Class revtex4-1 Info: cite was not loaded (OK!) on input line 75.
Class revtex4-1 Info: mcite was not loaded (OK!) on input line 75.
Class revtex4-1 Info: multicol was not loaded (OK!) on input line 75.
fingers crossed) on input line 73.
Class revtex4-1 Info: cite was not loaded (OK!) on input line 73.
Class revtex4-1 Info: mcite was not loaded (OK!) on input line 73.
Class revtex4-1 Info: multicol was not loaded (OK!) on input line 73.
(./EPAWTFT.aux)
\openout1 = `EPAWTFT.aux'.
LaTeX Font Info: Checking defaults for OML/txmi/m/it on input line 75.
LaTeX Font Info: Checking defaults for OML/txmi/m/it on input line 73.
LaTeX Font Info: Trying to load font information for OML+txmi on input line
75.
73.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/omltxmi.fd
File: omltxmi.fd 2000/12/15 v3.1
)
LaTeX Font Info: ... okay on input line 75.
LaTeX Font Info: Checking defaults for OMS/txsy/m/n on input line 75.
LaTeX Font Info: ... okay on input line 73.
LaTeX Font Info: Checking defaults for OMS/txsy/m/n on input line 73.
LaTeX Font Info: Trying to load font information for OMS+txsy on input line
75.
73.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/omstxsy.fd
File: omstxsy.fd 2000/12/15 v3.1
)
LaTeX Font Info: ... okay on input line 75.
LaTeX Font Info: Checking defaults for OT1/cmr/m/n on input line 75.
LaTeX Font Info: ... okay on input line 75.
LaTeX Font Info: Checking defaults for T1/cmr/m/n on input line 75.
LaTeX Font Info: ... okay on input line 75.
LaTeX Font Info: Checking defaults for TS1/cmr/m/n on input line 75.
LaTeX Font Info: ... okay on input line 75.
LaTeX Font Info: Checking defaults for OMX/txex/m/n on input line 75.
LaTeX Font Info: ... okay on input line 73.
LaTeX Font Info: Checking defaults for OT1/cmr/m/n on input line 73.
LaTeX Font Info: ... okay on input line 73.
LaTeX Font Info: Checking defaults for T1/cmr/m/n on input line 73.
LaTeX Font Info: ... okay on input line 73.
LaTeX Font Info: Checking defaults for TS1/cmr/m/n on input line 73.
LaTeX Font Info: ... okay on input line 73.
LaTeX Font Info: Checking defaults for OMX/txex/m/n on input line 73.
LaTeX Font Info: Trying to load font information for OMX+txex on input line
75.
73.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/omxtxex.fd
File: omxtxex.fd 2000/12/15 v3.1
)
LaTeX Font Info: ... okay on input line 75.
LaTeX Font Info: Checking defaults for U/txexa/m/n on input line 75.
LaTeX Font Info: ... okay on input line 73.
LaTeX Font Info: Checking defaults for U/txexa/m/n on input line 73.
LaTeX Font Info: Trying to load font information for U+txexa on input line 7
5.
3.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/utxexa.fd
File: utxexa.fd 2000/12/15 v3.1
)
LaTeX Font Info: ... okay on input line 75.
LaTeX Font Info: Checking defaults for PD1/pdf/m/n on input line 75.
LaTeX Font Info: ... okay on input line 75.
LaTeX Font Info: ... okay on input line 73.
LaTeX Font Info: Checking defaults for PD1/pdf/m/n on input line 73.
LaTeX Font Info: ... okay on input line 73.
LaTeX Font Info: Trying to load font information for T1+txr on input line 73
.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/t1txr.fd
File: t1txr.fd 2000/12/15 v3.1
)
(/usr/local/texlive/2020/texmf-dist/tex/context/base/mkii/supp-pdf.mkii
[Loading MPS to PDF converter (version 2006.09.02).]
\scratchcounter=\count292
\scratchdimen=\dimen166
\scratchbox=\box72
\nofMPsegments=\count293
\nofMParguments=\count294
\everyMPshowfont=\toks30
\MPscratchCnt=\count295
\MPscratchDim=\dimen167
\MPnumerator=\count296
\makeMPintoPDFobject=\count297
\everyMPtoPDFconversion=\toks31
\scratchcounter=\count314
\scratchdimen=\dimen196
\scratchbox=\box79
\nofMPsegments=\count315
\nofMParguments=\count316
\everyMPshowfont=\toks31
\MPscratchCnt=\count317
\MPscratchDim=\dimen197
\MPnumerator=\count318
\makeMPintoPDFobject=\count319
\everyMPtoPDFconversion=\toks32
) (/usr/local/texlive/2020/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty
Package: epstopdf-base 2020-01-24 v2.11 Base part for package epstopdf
Package epstopdf-base Info: Redefining graphics rule for `.eps' on input line 4
@ -659,14 +732,14 @@ Package epstopdf-base Info: Redefining graphics rule for `.eps' on input line 4
File: epstopdf-sys.cfg 2010/07/13 v1.3 Configuration of (r)epstopdf for TeX Liv
e
))
LaTeX Info: Redefining \microtypecontext on input line 75.
LaTeX Info: Redefining \microtypecontext on input line 73.
Package microtype Info: Generating PDF output.
Package microtype Info: Character protrusion enabled (level 2).
Package microtype Info: Using default protrusion set `alltext'.
Package microtype Info: Automatic font expansion enabled (level 2),
(microtype) stretch: 20, shrink: 20, step: 1, non-selected.
Package microtype Info: Using default expansion set `basictext'.
LaTeX Info: Redefining \showhyphens on input line 75.
LaTeX Info: Redefining \showhyphens on input line 73.
Package microtype Info: No adjustment of tracking.
Package microtype Info: No adjustment of interword spacing.
Package microtype Info: No adjustment of character kerning.
@ -674,13 +747,19 @@ Package microtype Info: No adjustment of character kerning.
(/usr/local/texlive/2020/texmf-dist/tex/latex/microtype/mt-ptm.cfg
File: mt-ptm.cfg 2006/04/20 v1.7 microtype config. file: Times (RS)
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/translator/translator-basic-dicti
onary-English.dict
Dictionary: translator-basic-dictionary, Language: English
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/siunitx/siunitx-abbreviations.cfg
File: siunitx-abbreviations.cfg 2017/11/26 v2.7k siunitx: Abbreviated units
)
Package chemgreek Info: Activating mapping `default' on line 75.
Package chemgreek Info: Activating mapping `default' on line 73.
\AtBeginShipoutBox=\box73
Package hyperref Info: Link coloring ON on input line 75.
(/usr/local/texlive/2020/texmf-dist/tex/latex/hyperref/nameref.sty
\AtBeginShipoutBox=\box80
Package hyperref Info: Link coloring ON on input line 73.
(/usr/local/texlive/2020/texmf-dist/tex/latex/hyperref/nameref.sty
Package: nameref 2019/09/16 v2.46 Cross-referencing by name of section
(/usr/local/texlive/2020/texmf-dist/tex/latex/refcount/refcount.sty
@ -690,56 +769,82 @@ Package: refcount 2019/12/15 v3.6 Data extraction from label references (HO)
ty
Package: gettitlestring 2019/12/15 v1.6 Cleanup title references (HO)
)
\c@section@level=\count298
\c@section@level=\count320
)
LaTeX Info: Redefining \ref on input line 75.
LaTeX Info: Redefining \pageref on input line 75.
LaTeX Info: Redefining \nameref on input line 75.
LaTeX Info: Redefining \ref on input line 73.
LaTeX Info: Redefining \pageref on input line 73.
LaTeX Info: Redefining \nameref on input line 73.
(./EPAWTFT.out) (./EPAWTFT.out)
\@outlinefile=\write4
\openout4 = `EPAWTFT.out'.
Class revtex4-1 Info: Taking \maketitle back from hyperref on input line 75.
Class revtex4-1 Info: Taking \maketitle back from hyperref on input line 73.
\openout3 = `EPAWTFTNotes.bib'.
LaTeX Font Info: Font shape `T1/txr/b/n' in size <12> not available
(Font) Font shape `T1/txr/bx/n' tried instead on input line 97.
LaTeX Font Info: Trying to load font information for OT1+txr on input line 9
7.
LaTeX Font Info: Trying to load font information for OT1+txr on input line 7
3.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/ot1txr.fd
File: ot1txr.fd 2000/12/15 v3.1
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/microtype/mt-cmr.cfg
File: mt-cmr.cfg 2013/05/19 v2.2 microtype config. file: Computer Modern Roman
(RS)
)
LaTeX Font Info: Trying to load font information for U+txsya on input line 9
7.
LaTeX Font Info: Trying to load font information for U+txsya on input line 7
3.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/utxsya.fd
File: utxsya.fd 2000/12/15 v3.1
)
LaTeX Font Info: Trying to load font information for U+txsyb on input line 9
7.
LaTeX Font Info: Trying to load font information for U+txsyb on input line 7
3.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/utxsyb.fd
File: utxsyb.fd 2000/12/15 v3.1
)
LaTeX Font Info: Trying to load font information for U+txmia on input line 9
7.
LaTeX Font Info: Trying to load font information for U+txmia on input line 7
3.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/utxmia.fd
File: utxmia.fd 2000/12/15 v3.1
)
LaTeX Font Info: Trying to load font information for U+txsyc on input line 9
7.
LaTeX Font Info: Trying to load font information for U+txsyc on input line 7
3.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/utxsyc.fd
File: utxsyc.fd 2000/12/15 v3.1
)
LaTeX Font Info: Trying to load font information for OT1+txss on input line
73.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/ot1txss.fd
File: ot1txss.fd 2000/12/15 v3.1
)
LaTeX Font Info: Font shape `OT1/txss/m/n' will be
(Font) scaled to size 9.49997pt on input line 73.
Package microtype Info: Loading generic protrusion settings for font family
(microtype) `txss' (encoding: OT1).
(microtype) For optimal results, create family-specific settings.
(microtype) See the microtype manual for details.
LaTeX Font Info: Font shape `OT1/txss/m/n' will be
(Font) scaled to size 6.64998pt on input line 73.
LaTeX Font Info: Font shape `OT1/txss/m/n' will be
(Font) scaled to size 4.74998pt on input line 73.
LaTeX Font Info: Trying to load font information for OT1+txtt on input line
73.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/ot1txtt.fd
File: ot1txtt.fd 2000/12/15 v3.1
)
Package microtype Info: Loading generic protrusion settings for font family
(microtype) `txtt' (encoding: OT1).
(microtype) For optimal results, create family-specific settings.
(microtype) See the microtype manual for details.
LaTeX Font Info: Font shape `T1/txr/b/n' in size <12> not available
(Font) Font shape `T1/txr/bx/n' tried instead on input line 95.
LaTeX Font Info: Font shape `OT1/txss/m/n' will be
(Font) scaled to size 8.54997pt on input line 95.
LaTeX Font Info: Font shape `OT1/txss/m/n' will be
(Font) scaled to size 5.69998pt on input line 95.
LaTeX Font Info: Font shape `T1/txr/b/n' in size <9> not available
(Font) Font shape `T1/txr/bx/n' tried instead on input line 100.
(Font) Font shape `T1/txr/bx/n' tried instead on input line 98.
[1{/usr/local/texlive/2020/texmf-var/fonts/map/pdftex/updmap/pdftex.map}] [2]
[3] [4]
[5] [6] (./EPAWTFT.bbl [7])
@ -748,21 +853,21 @@ Class revtex4-1 Warning: Environment acknowledgements is obsolete;
Use acknowledgments instead.
[8]
Package atveryend Info: Empty hook `AfterLastShipout' on input line 751.
Package atveryend Info: Empty hook `AfterLastShipout' on input line 754.
(./EPAWTFT.aux)
Package atveryend Info: Executing hook `AtVeryEndDocument' on input line 751.
Package atveryend Info: Executing hook `AtEndAfterFileList' on input line 751.
Package atveryend Info: Executing hook `AtVeryEndDocument' on input line 754.
Package atveryend Info: Executing hook `AtEndAfterFileList' on input line 754.
Package rerunfilecheck Info: File `EPAWTFT.out' has not changed.
(rerunfilecheck) Checksum: 81A90960DB67E307FACD10337C344D5D;1233.
)
Here is how much of TeX's memory you used:
14318 strings out of 480478
217004 string characters out of 5899595
571075 words of memory out of 5000000
29500 multiletter control sequences out of 15000+600000
618610 words of font info for 472 fonts, out of 8000000 for 9000
16604 strings out of 480478
283054 string characters out of 5899595
610721 words of memory out of 5000000
31769 multiletter control sequences out of 15000+600000
619636 words of font info for 469 fonts, out of 8000000 for 9000
1141 hyphenation exceptions out of 8191
44i,18n,58p,1757b,614s stack positions out of 5000i,500n,10000p,200000b,80000s
44i,18n,58p,1757b,994s stack positions out of 5000i,500n,10000p,200000b,80000s
{/usr/local/texlive/2020/texmf-dist/fonts/enc/dvips/base/8r.enc}</usr/local/t
exlive/2020/texmf-dist/fonts/type1/public/txfonts/rtxi.pfb></usr/local/texlive/
2020/texmf-dist/fonts/type1/public/txfonts/rtxmi.pfb></usr/local/texlive/2020/t
@ -774,10 +879,10 @@ ic/txfonts/txsy.pfb></usr/local/texlive/2020/texmf-dist/fonts/type1/public/txfo
nts/txsyb.pfb></usr/local/texlive/2020/texmf-dist/fonts/type1/urw/times/utmb8a.
pfb></usr/local/texlive/2020/texmf-dist/fonts/type1/urw/times/utmr8a.pfb></usr/
local/texlive/2020/texmf-dist/fonts/type1/urw/times/utmri8a.pfb>
Output written on EPAWTFT.pdf (8 pages, 134816 bytes).
Output written on EPAWTFT.pdf (8 pages, 135947 bytes).
PDF statistics:
457 PDF objects out of 1000 (max. 8388607)
430 compressed objects within 5 object streams
120 named destinations out of 1000 (max. 500000)
47241 words of extra memory for PDF output out of 51595 (max. 10000000)
462 PDF objects out of 1000 (max. 8388607)
435 compressed objects within 5 object streams
122 named destinations out of 1000 (max. 500000)
52873 words of extra memory for PDF output out of 61914 (max. 10000000)

BIN
Manuscript/EPAWTFT.pdf
View File

Binary file not shown.

BIN
Manuscript/EPAWTFT.synctex.gz
View File

Binary file not shown.

17
Manuscript/EPAWTFT.tex
View File

@ -1,6 +1,5 @@
\documentclass[aps,prb,reprint,noshowkeys,superscriptaddress]{revtex4-1}
\usepackage{graphicx,dcolumn,bm,xcolor,microtype,multirow,amscd,amsmath,amssymb,amsfonts,physics,longtable,txfonts,mhchem}
\usepackage{graphicx,tabularx,array,booktabs,longtable,dcolumn,xcolor,microtype,multirow,amscd,amsmath,amssymb,amsfonts,physics,siunitx,mhchem}
\usepackage[utf8]{inputenc}
\usepackage[T1]{fontenc}
\usepackage{txfonts}
@ -27,7 +26,6 @@
\newcommand{\fnt}{\footnotetext}
\newcommand{\mcc}[1]{\multicolumn{1}{c}{#1}}
\newcommand{\mr}{\multirow}
\newcommand{\SI}{\textcolor{blue}{supporting information}}
% operators
\newcommand{\bH}{\mathbf{H}}
@ -302,10 +300,10 @@ with $\mel{pq}{}{rs} = \braket{pq}{rs} - \braket{pq}{sr}$, and where
\begin{equation}
\braket{pq}{rs} = \iint \dd\vb{x}_1\dd\vb{x}_2\frac{\phi_p(\vb{x}_1)\phi_q(\vb{x}_2)\phi_r(\vb{x}_1)\phi_s(\vb{x}_2)}{\abs{\vb{r}_1 - \vb{r}_2}}
\end{equation}
are two-electron integral in the spin-orbital basis. \cite{Gill_1994}
are two-electron integrals in the spin-orbital basis. \cite{Gill_1994}
As mentioned earlier, there is, \textit{a priori}, no guarantee that the MP$m$ series converges to the exact energy when $m \to \infty$.
In fact, it is known that when the HF wave function is a poor approximation to the exact wave function, for example in multi-reference systems, the MP method yields deceptive results. \cite{Gill_1986, Gill_1988, Handy_1985, Lepetit_1988}
In fact, it is known that when the HF wave function is a poor approximation to the exact wave function, for example in multi-reference systems, the MP method yields deceptive results. \cite{Gill_1986,Gill_1988,Handy_1985,Lepetit_1988,Leininger_2000}
A convenient way to investigate the convergence properties of the MP series is to analytically continue the coupling parameter $\lambda$ into the complex variable.
By doing so, the Hamiltonian and the energy become complex-valued functions of $\lambda$, and the energy becomes a multivalued function on $K$ Riemann sheets (where $K$ is the number of basis functions).
As mentioned above, by searching the singularities of the function $E(\lambda)$, one can get information on the convergence properties of the MP series.
@ -364,11 +362,16 @@ The discovery of this divergent behavior is worrying as in order to get meaningf
A singularity in the unit circle is designated as an intruder state, more precisely as a front-door (respectively back-door) intruder state if the real part of the singularity is positive (respectively negative). Their method consists in performing a scan of the real axis to detect the avoided crossing responsible for the pair of dominant singularities. Then, by modeling this avoided crossing via a two-state Hamiltonian one can get an approximation of the dominant conjugate pair of singularities by finding the EPs of the following $2\times2$ matrix
\begin{equation}
\underbrace{\mqty(\alpha & \delta \\ \delta & \beta)}_{\bH} = \underbrace{\mqty(\alpha + \alpha_s & 0 \\ 0 & \beta + \beta_s )}_{\bH^{(0)}} + \underbrace{\mqty(- \alpha_s & \delta \\ \delta & - \beta_s)}_{\bV},
\underbrace{\mqty(\alpha & \delta \\ \delta & \beta)}_{\bH} = \underbrace{\mqty(\alpha & 0 \\ 0 & \beta + \gamma )}_{\bH^{(0)}} + \underbrace{\mqty( 0 & \delta \\ \delta & - \gamma)}_{\bV},
\end{equation}
where the diagonal matrix is the unperturbed Hamiltonian matrix $\bH^{(0)}$ and the second matrix in the right-hand-side $\bV$ is the perturbation.
In Ref.~\onlinecite{Olsen_2019}, the simple $2 \times 2$ model proposed by Olsen \textit{et al.} is generalized to a non-symmetric (i.e, non-Hermitian) Hamiltonian and various choice of perturbation (not only the MP partioning).
In Ref.~\onlinecite{Olsen_2019}, the simple two-state model proposed by Olsen \textit{et al.} is generalized to a non-symmetric Hamiltonian
\begin{equation}
\underbrace{\mqty(\alpha & \delta_1 \\ \delta_2 & \beta)}_{\bH} = \underbrace{\mqty(\alpha & 0 \\ 0 & \beta + \gamma )}_{\bH^{(0)}} + \underbrace{\mqty( 0 & \delta_2 \\ \delta_1 & - \gamma)}_{\bV}.
\end{equation}
allowing an analysis of various choice of perturbation (not only the MP partioning) such as coupled cluster perturbation expansions and other non-Hermitian perturbation methods.
It is worth noting that only cases where $\text{sgn}(\delta_1) = - \text{sgn}(\delta_2)$ leads to new forms of perturbation expansions.
Interestingly, they showed that the convergence pattern of a given perturbation method can be characterized by its archetype which defines the overall ``shape'' of the energy convergence and can be subdivided in five classes for Hermitian Hamiltonians (zigzag, interspersed zigzag, triadic, ripples, and geometric), while two additional archetypes (zigzag-geometric and convex-geometric) are observed in non-Hermitian Hamiltonians.
Other features characterizing the convergence behavior of a perturbation method are its rate of convergence, its length of recurring period, and its sign pattern.

BIN
References/Olsen_2019.pdf
View File

Binary file not shown.