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Evgeny Epifanovsky
Evgeny Epifanovsky
Q-Chem
Bestätigte E-Mail-Adresse bei q-chem.com
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Zitiert von
Jahr
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
24962015
Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagator
M Wormit, DR Rehn, PHP Harbach, J Wenzel, CM Krauter, E Epifanovsky, ...
Molecular Physics 112 (5-6), 774-784, 2014
1732014
New implementation of high‐level correlated methods using a general block tensor library for high‐performance electronic structure calculations
E Epifanovsky, M Wormit, T Kuś, A Landau, D Zuev, K Khistyaev, ...
Journal of computational chemistry 34 (26), 2293-2309, 2013
1512013
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of chemical physics 155 (8), 084801, 2021
1432021
Quantum chemical benchmark studies of the electronic properties of the green fluorescent protein chromophore. 1. Electronically excited and ionized states of the anionic …
E Epifanovsky, I Polyakov, B Grigorenko, A Nemukhin, AI Krylov
Journal of chemical theory and computation 5 (7), 1895-1906, 2009
1222009
On the electronically excited states of uracil
E Epifanovsky, K Kowalski, PD Fan, M Valiev, S Matsika, AI Krylov
The Journal of Physical Chemistry A 112 (40), 9983-9992, 2008
1222008
General implementation of the resolution-of-the-identity and Cholesky representations of electron repulsion integrals within coupled-cluster and equation-of-motion methods …
E Epifanovsky, D Zuev, X Feng, K Khistyaev, Y Shao, AI Krylov
The Journal of chemical physics 139 (13), 134105, 2013
1182013
Products of the Benzene + O(3P) Reaction
CA Taatjes, DL Osborn, TM Selby, G Meloni, AJ Trevitt, E Epifanovsky, ...
The Journal of Physical Chemistry A 114 (9), 3355-3370, 2010
1122010
New and efficient equation-of-motion coupled-cluster framework for core-excited and core-ionized states
ML Vidal, X Feng, E Epifanovsky, AI Krylov, S Coriani
Journal of Chemical Theory and Computation 15 (5), 3117-3133, 2019
1112019
Complex absorbing potentials within EOM-CC family of methods: Theory, implementation, and benchmarks
D Zuev, TC Jagau, KB Bravaya, E Epifanovsky, Y Shao, E Sundstrom, ...
The Journal of chemical physics 141 (2), 024102, 2014
1112014
A fresh look at resonances and complex absorbing potentials: Density matrix-based approach
TC Jagau, D Zuev, KB Bravaya, E Epifanovsky, AI Krylov
The journal of physical chemistry letters 5 (2), 310-315, 2014
1102014
Potential energy landscape of the electronic states of the GFP chromophore in different protonation forms: Electronic transition energies and conical intersections
IV Polyakov, BL Grigorenko, EM Epifanovsky, AI Krylov, AV Nemukhin
Journal of Chemical Theory and Computation 6 (8), 2377-2387, 2010
1002010
Spin-orbit couplings within the equation-of-motion coupled-cluster framework: Theory, implementation, and benchmark calculations
E Epifanovsky, K Klein, S Stopkowicz, J Gauss, AI Krylov
The Journal of chemical physics 143 (6), 064102, 2015
742015
Complex-scaled equation-of-motion coupled-cluster method with single and double substitutions for autoionizing excited states: Theory, implementation, and examples
KB Bravaya, D Zuev, E Epifanovsky, AI Krylov
The Journal of chemical physics 138 (12), 124106, 2013
652013
Efficient implementation of the pair atomic resolution of the identity approximation for exact exchange for hybrid and range-separated density functionals
SF Manzer, E Epifanovsky, M Head-Gordon
Journal of chemical theory and computation 11 (2), 518-527, 2015
582015
Coupled-cluster valence-bond singles and doubles for strongly correlated systems: Block-tensor based implementation and application to oligoacenes
J Lee, DW Small, E Epifanovsky, M Head-Gordon
Journal of chemical theory and computation 13 (2), 602-615, 2017
552017
Quantum Chemical Benchmark Studies of the Electronic Properties of the Green Fluorescent Protein Chromophore: 2. CisTrans Isomerization in Water
I Polyakov, E Epifanovsky, B Grigorenko, AI Krylov, A Nemukhin
Journal of Chemical Theory and Computation 5 (7), 1907-1914, 2009
472009
Four bases score a run: Ab initio calculations quantify a cooperative effect of H-bonding and π-stacking on the ionization energy of adenine in the AATT tetramer
KB Bravaya, E Epifanovsky, AI Krylov
The Journal of Physical Chemistry Letters 3 (18), 2726-2732, 2012
462012
Q-Chem, version 3.0. Q-chem
Y Shao, L Fusti-Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ...
Inc.: Pittsburgh, PA, 2007
452007
Photodissociation Dynamics of Formaldehyde Initiated at the T1/S0 Minimum Energy Crossing Configurations
BC Shepler, E Epifanovsky, P Zhang, JM Bowman, AI Krylov, K Morokuma
The Journal of Physical Chemistry A 112 (51), 13267-13270, 2008
382008
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