Francesco Evangelista
Francesco Evangelista
Associate Professor, Emory University
Verified email at emory.edu - Homepage
Title
Cited by
Cited by
Year
Psi4: an open‐source ab initio electronic structure program
JM Turney, AC Simmonett, RM Parrish, EG Hohenstein, FA Evangelista, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (4), 556-565, 2012
7302012
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
RM Parrish, LA Burns, DGA Smith, AC Simmonett, AE DePrince III, ...
Journal of chemical theory and computation 13 (7), 3185-3197, 2017
5862017
Coupling term derivation and general implementation of state-specific multireference coupled cluster theories
FA Evangelista, WD Allen, HF Schaefer III
The Journal of chemical physics 127 (2), 024102, 2007
2652007
High-order excitations in state-universal and state-specific multireference coupled cluster theories: Model systems
FA Evangelista, WD Allen, HF Schaefer III
The Journal of chemical physics 125 (15), 154113, 2006
2262006
Wiley Interdiscip
JM Turney, AC Simmonett, RM Parrish, EG Hohenstein, FA Evangelista, ...
Rev.: Comput. Mol. Sci 2 (4), 556-565, 2012
1492012
Triple excitations in state-specific multireference coupled cluster theory: Application of Mk-MRCCSDT and methods to model systems
FA Evangelista, AC Simmonett, WD Allen, HF Schaefer III, J Gauss
The Journal of chemical physics 128 (12), 124104, 2008
1412008
Communication: An adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy
JB Schriber, FA Evangelista
The Journal of chemical physics 144 (16), 161106, 2016
1362016
An orbital-invariant internally contracted multireference coupled cluster approach
FA Evangelista, J Gauss
The Journal of chemical physics 134 (11), 114102, 2011
1332011
Perturbative triples corrections in state-specific multireference coupled cluster theory
FA Evangelista, E Prochnow, J Gauss, HF Schaefer III
The Journal of chemical physics 132 (7), 074107, 2010
1032010
Analytic gradients for the state-specific multireference coupled cluster singles and doubles model
E Prochnow, FA Evangelista, HF Schaefer III, WD Allen, J Gauss
The Journal of chemical physics 131 (6), 064109, 2009
832009
Alternative single-reference coupled cluster approaches for multireference problems: The simpler, the better
FA Evangelista
The Journal of chemical physics 134 (22), 224102, 2011
762011
A companion perturbation theory for state-specific multireference coupled cluster methods
FA Evangelista, AC Simmonett, HF Schaefer III, D Mukherjee, WD Allen
Physical Chemistry Chemical Physics 11 (23), 4728-4741, 2009
712009
Orthogonality constrained density functional theory for electronic excited states
FA Evangelista, P Shushkov, JC Tully
The Journal of Physical Chemistry A 117 (32), 7378-7392, 2013
702013
Adaptive multiconfigurational wave functions
FA Evangelista
The Journal of Chemical Physics 140 (12), 124114, 2014
672014
A driven similarity renormalization group approach to quantum many-body problems
FA Evangelista
The Journal of chemical physics 141 (5), 054109, 2014
652014
Insights into the orbital invariance problem in state-specific multireference coupled cluster theory
FA Evangelista, J Gauss
The Journal of chemical physics 133 (4), 044101, 2010
582010
Water dimer radical cation: structures, vibrational frequencies, and energetics
Q Cheng, FA Evangelista, AC Simmonett, Y Yamaguchi, HF Schaefer III
The Journal of Physical Chemistry A 113 (49), 13779-13789, 2009
562009
A sequential transformation approach to the internally contracted multireference coupled cluster method
FA Evangelista, M Hanauer, A Köhn, J Gauss
The Journal of chemical physics 136 (20), 204108, 2012
552012
Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development
DGA Smith, LA Burns, DA Sirianni, DR Nascimento, A Kumar, AM James, ...
Journal of chemical theory and computation 14 (7), 3504-3511, 2018
542018
Radicals derived from adenine: Prediction of large electron affinities with a considerable spread
FA Evangelista, A Paul, HF Schaefer
The Journal of Physical Chemistry A 108 (16), 3565-3571, 2004
542004
The system can't perform the operation now. Try again later.
Articles 1–20