diff --git a/Manuscript/srDFT_SC.blg b/Manuscript/srDFT_SC.blg deleted file mode 100644 index 670825b..0000000 --- a/Manuscript/srDFT_SC.blg +++ /dev/null @@ -1,68 +0,0 @@ -This is BibTeX, Version 0.99d (TeX Live 2015/Debian) -Capacity: max_strings=35307, hash_size=35307, hash_prime=30011 -The top-level auxiliary file: srDFT_SC.aux -The style file: aipnum4-1.bst -Reallocated singl_function (elt_size=4) to 100 items from 50. -Reallocated singl_function (elt_size=4) to 100 items from 50. -Reallocated singl_function (elt_size=4) to 100 items from 50. -Reallocated singl_function (elt_size=4) to 100 items from 50. -Reallocated singl_function (elt_size=4) to 100 items from 50. -Reallocated singl_function (elt_size=4) to 100 items from 50. -Reallocated wiz_functions (elt_size=4) to 6000 items from 3000. -Database file #1: srDFT_SCNotes.bib -Database file #2: srDFT_SC.bib -Warning--I didn't find a database entry for "kato" -control{REVTEX41Control}, control.key{N/A}, control.author{N/A}, control.editor{N/A}, control.title{N/A}, control.pages{N/A}, control.year{N/A}, control.eprint{N/A}, -control{aip41Control}, control.key{N/A}, control.author{N/A}, control.editor{N/A}, control.title{}, control.pages{0}, control.year{N/A}, control.eprint{N/A}, -Warning--jnrlst (dependency: not reversed) set 1 -Reallocated singl_function (elt_size=4) to 100 items from 50. -merlin.mbs aipnum4-1.bst 2010-07-25 4.21a (PWD, AO, DPC) hacked -Control: key (0) -Control: author (8) initials jnrlst -Control: editor formatted (1) identically to author -Control: production of article title (-1) disabled -Control: page (0) single -Control: year (1) truncated -Control: production of eprint (0) enabled -You've used 59 entries, - 5918 wiz_defined-function locations, - 2007 strings with 26756 characters, -and the built_in function-call counts, 65672 in all, are: -= -- 3998 -> -- 2277 -< -- 420 -+ -- 707 -- -- 591 -* -- 10449 -:= -- 6548 -add.period$ -- 59 -call.type$ -- 59 -change.case$ -- 232 -chr.to.int$ -- 56 -cite$ -- 59 -duplicate$ -- 5827 -empty$ -- 4623 -format.name$ -- 1190 -if$ -- 13056 -int.to.chr$ -- 4 -int.to.str$ -- 66 -missing$ -- 768 -newline$ -- 223 -num.names$ -- 172 -pop$ -- 2415 -preamble$ -- 1 -purify$ -- 285 -quote$ -- 0 -skip$ -- 2257 -stack$ -- 0 -substring$ -- 1672 -swap$ -- 5801 -text.length$ -- 228 -text.prefix$ -- 0 -top$ -- 10 -type$ -- 865 -warning$ -- 1 -while$ -- 232 -width$ -- 0 -write$ -- 521 -(There were 2 warnings) diff --git a/Manuscript/srDFT_SC.out b/Manuscript/srDFT_SC.out deleted file mode 100644 index 2836d2a..0000000 --- a/Manuscript/srDFT_SC.out +++ /dev/null @@ -1,24 +0,0 @@ -\BOOKMARK [0][-]{section*.2}{A density-based basis set correction for strong correlation}{}% 2 -\BOOKMARK [1][-]{section*.1}{Abstract}{section*.2}% 1 -\BOOKMARK [1][-]{section*.3}{Introduction}{section*.2}% 3 -\BOOKMARK [1][-]{section*.4}{Theory}{section*.2}% 4 -\BOOKMARK [2][-]{section*.5}{Basic formal equations}{section*.4}% 5 -\BOOKMARK [2][-]{section*.6}{Definition of an effective interaction within B}{section*.4}% 6 -\BOOKMARK [2][-]{section*.7}{Definition of a range-separation parameter varying in real space}{section*.4}% 7 -\BOOKMARK [3][-]{section*.8}{General definition}{section*.7}% 8 -\BOOKMARK [3][-]{section*.9}{Frozen core density approximation}{section*.7}% 9 -\BOOKMARK [2][-]{section*.10}{Generic form and properties of the approximations for B[n\(r\)] }{section*.4}% 10 -\BOOKMARK [3][-]{section*.11}{Generic form of the approximated functionals}{section*.10}% 11 -\BOOKMARK [3][-]{section*.12}{Properties of approximated functionals}{section*.10}% 12 -\BOOKMARK [2][-]{section*.13}{Requirements for the approximated functionals in the strong correlation regime}{section*.4}% 13 -\BOOKMARK [3][-]{section*.14}{Requirements: separability of the energies and Sz invariance}{section*.13}% 14 -\BOOKMARK [3][-]{section*.15}{Condition for the functional XB[n,,s,n\(2\),B] to obtain Sz invariance}{section*.13}% 15 -\BOOKMARK [3][-]{section*.16}{Conditions on B for the extensivity}{section*.13}% 16 -\BOOKMARK [2][-]{section*.17}{Different types of approximations for the functional}{section*.4}% 17 -\BOOKMARK [3][-]{section*.18}{Definition of the protocol to design functionals}{section*.17}% 18 -\BOOKMARK [3][-]{section*.19}{Definition of functionals with good formal properties}{section*.17}% 19 -\BOOKMARK [1][-]{section*.20}{Results for the C2, N2, O2, F2 and H10 potential energy curves}{section*.2}% 20 -\BOOKMARK [2][-]{section*.21}{Computational details}{section*.20}% 21 -\BOOKMARK [2][-]{section*.22}{Dissociation of equally distant H10 chains}{section*.20}% 22 -\BOOKMARK [2][-]{section*.23}{Dissociation of C2, N2, O2 and F2}{section*.20}% 23 -\BOOKMARK [1][-]{section*.24}{Conclusion}{section*.2}% 24