| 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 | 3202 | 2015 |
| 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), 2021 | 838 | 2021 |
| 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 | 169 | 2013 |
| 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), 2014 | 149 | 2014 |
| 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), 2013 | 149 | 2013 |
| 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 | 139 | 2014 |
| 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), 2013 | 74 | 2013 |
| 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 Rhee Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... N. Engl. J. Med 363, 1693-1703, 2010 | 62* | 2010 |
| New algorithms for iterative matrix‐free eigensolvers in quantum chemistry D Zuev, E Vecharynski, C Yang, N Orms, AI Krylov Journal of Computational Chemistry 36 (5), 273-284, 2015 | 56 | 2015 |
| Electronic structure of the two isomers of the anionic form of p-coumaric acid chromophore D Zuev, KB Bravaya, TD Crawford, R Lindh, AI Krylov The Journal of chemical physics 134 (3), 2011 | 56 | 2011 |
| Effect of microhydration on the electronic structure of the chromophores of the photoactive yellow and green fluorescent proteins D Zuev, KB Bravaya, MV Makarova, AI Krylov The Journal of chemical physics 135 (19), 2011 | 39 | 2011 |
| Advances in molecular quantum chemistry contained in the Q-Chem 4 program package F Liu, E Livshits, RC Lochan, A Luenser, P Manohar, SF Manzer, SP Mao, ... Molecular Physics 113 (2), 184-215, 2015 | 19 | 2015 |
| Erratum:“Complex absorbing potentials within EOM-CC family of methods: Theory, implementation, and benchmarks”[J. Chem. Phys. 141, 024102 (2014)] D Zuev, TC Jagau, KB Bravaya, E Epifanovsky, Y Shao, E Sundstrom, ... The Journal of Chemical Physics 143 (14), 2015 | 8 | 2015 |
| Correction to “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 6 (19), 3866-3866, 2015 | 8 | 2015 |
| Complex absorbing potentials within EOM-CC family of methods: Theory, implementation, and benchmarks (vol 141, 024102, 2014) D Zuev, TC Jagau, KB Bravaya, E Epifanovsky, Y Shao, E Sundstrom, ... Journal Of Chemical Physics 143 (14), 2015 | | 2015 |
| Development of robust ab initio methods for description of excited states and autoionizing resonances D Zuev University of Southern California, 2014 | | 2014 |
| Complex-scaled equation-of-motion coupled-cluster suite of methods for autoionizing states K Bravaya, D Zuev, A Krylov ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 246, 2013 | | 2013 |
| Ab initio studies of autoionizing excited states: From atoms to biochromophores KB Bravaya, D Zuev, AI Krylov ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 242, 2011 | | 2011 |
| Electronically excited and ionized states of the photoactive yellow protein chromophore: Insights from electronic structure calculations KB Bravaya, D Zuev, AI Krylov ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 240, 2010 | | 2010 |
