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Pierre-Francois Loos 2021-01-17 20:18:37 +01:00
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Manuscript/sfBSE.bib
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@ -1,7 +1,7 @@
%% This BibTeX bibliography file was created using BibDesk.
%% http://bibdesk.sourceforge.net/
%% Created for Pierre-Francois Loos at 2021-01-17 14:51:24 +0100
%% Created for Pierre-Francois Loos at 2021-01-17 20:15:25 +0100
%% Saved with string encoding Unicode (UTF-8)
@ -12,16 +12,12 @@
abstract = {Density functional theory of electronic structure is widely and successfully applied in simulations throughout engineering and sciences. However, for many predicted properties, there are spectacular failures that can be traced to the delocalization error and static correlation error of commonly used approximations. These errors can be characterized and understood through the perspective of fractional charges and fractional spins introduced recently. Reducing these errors will open new frontiers for applications of density functional theory.},
author = {Cohen, Aron J. and Mori-S{\'a}nchez, Paula and Yang, Weitao},
date-added = {2021-01-17 14:51:05 +0100},
date-modified = {2021-01-17 14:51:15 +0100},
date-modified = {2021-01-17 20:12:23 +0100},
doi = {10.1126/science.1158722},
eprint = {https://science.sciencemag.org/content/321/5890/792.full.pdf},
issn = {0036-8075},
journal = {Science},
number = {5890},
pages = {792--794},
publisher = {American Association for the Advancement of Science},
title = {Insights into Current Limitations of Density Functional Theory},
url = {https://science.sciencemag.org/content/321/5890/792},
volume = {321},
year = {2008},
Bdsk-Url-1 = {https://science.sciencemag.org/content/321/5890/792},
@ -42,15 +38,12 @@
@article{Vuckovic_2017,
author = {Vuckovic, Stefan and Gori-Giorgi, Paola},
date-added = {2021-01-17 09:51:44 +0100},
date-modified = {2021-01-17 09:52:00 +0100},
date-modified = {2021-01-17 20:11:32 +0100},
doi = {10.1021/acs.jpclett.7b01113},
eprint = {https://doi.org/10.1021/acs.jpclett.7b01113},
journal = {The Journal of Physical Chemistry Letters},
note = {PMID: 28581751},
journal = {J. Phys. Chem. Lett.},
number = {13},
pages = {2799-2805},
title = {Simple Fully Nonlocal Density Functionals for Electronic Repulsion Energy},
url = {https://doi.org/10.1021/acs.jpclett.7b01113},
volume = {8},
year = {2017},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.7b01113}}
@ -295,14 +288,14 @@
year = {2020},
Bdsk-Url-1 = {https://doi.org/10.1063/5.0021036}}
@misc{Berger_2020,
archiveprefix = {arXiv},
@article{Berger_2021,
author = {J. Arjan Berger and Pierre-Fran{\c c}ois Loos and Pina Romaniello},
date-added = {2020-12-09 09:59:26 +0100},
date-modified = {2020-12-09 09:59:26 +0100},
eprint = {2008.12367},
primaryclass = {physics.chem-ph},
date-modified = {2021-01-17 20:12:04 +0100},
journal = {J. Chem. Theory Comput.},
pages = {191},
title = {Potential energy surfaces without unphysical discontinuities: the Coulomb-hole plus screened exchange approach},
volume = {17},
year = {2020}}
@article{Bernard_2013,
@ -361,14 +354,13 @@
@article{Chrayteh_2021,
author = {Chrayteh, Amara and Blondel, Aymeric and Loos, Pierre-Fran{\c c}ois and Jacquemin, Denis},
date-added = {2020-12-09 09:59:26 +0100},
date-modified = {2021-01-11 09:19:56 +0100},
date-modified = {2021-01-17 20:11:14 +0100},
doi = {10.1021/acs.jctc.0c01111},
journal = {Journal of Chemical Theory and Computation},
number = {0},
pages = {null},
journal = {J. Chem. Theory Comput.},
pages = {416},
title = {Mountaineering Strategy to Excited States: Highly Accurate Oscillator Strengths and Dipole Moments of Small Molecules},
volume = {0},
year = {0},
volume = {17},
year = {2021},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.0c01111}}
@article{Dumont_2009,