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Francesco Evangelista
Francesco Evangelista
Associate Professor, Emory University
Verified email at emory.edu - Homepage
Title
Cited by
Cited by
Year
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
9492017
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
9282012
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
2822007
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
2322006
PSI4 1.4: Open-source software for high-throughput quantum chemistry
DGA Smith, LA Burns, AC Simmonett, RM Parrish, MC Schieber, ...
The Journal of chemical physics 152 (18), 184108, 2020
2292020
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
2062016
Wiley Interdiscip
JM Turney, AC Simmonett, RM Parrish, EG Hohenstein, FA Evangelista, ...
Rev.: Comput. Mol. Sci 2 (556), 10.1002, 2012
1802012
An orbital-invariant internally contracted multireference coupled cluster approach
FA Evangelista, J Gauss
The Journal of chemical physics 134 (11), 114102, 2011
1532011
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
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
1092010
Exact parameterization of fermionic wave functions via unitary coupled cluster theory
FA Evangelista, GKL Chan, GE Scuseria
The Journal of chemical physics 151 (24), 244112, 2019
1032019
Alternative single-reference coupled cluster approaches for multireference problems: The simpler, the better
FA Evangelista
The Journal of chemical physics 134 (22), 224102, 2011
1032011
Adaptive multiconfigurational wave functions
FA Evangelista
The Journal of Chemical Physics 140 (12), 124114, 2014
982014
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
972018
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
862013
Mapping the 3D orientation of piconewton integrin traction forces
JM Brockman, AT Blanchard, V Pui-Yan, WD Derricotte, Y Zhang, ME Fay, ...
Nature methods 15 (2), 115-118, 2018
822018
A driven similarity renormalization group approach to quantum many-body problems
FA Evangelista
The Journal of chemical physics 141 (5), 054109, 2014
822014
Perspective: Multireference coupled cluster theories of dynamical electron correlation
FA Evangelista
The Journal of Chemical Physics 149 (3), 030901, 2018
812018
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
812009
A multireference quantum Krylov algorithm for strongly correlated electrons
NH Stair, R Huang, FA Evangelista
Journal of chemical theory and computation 16 (4), 2236-2245, 2020
732020
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