Qubit coupled cluster method: a systematic approach to quantum chemistry on a quantum computer IG Ryabinkin, TC Yen, SN Genin, AF Izmaylov Journal of chemical theory and computation 14 (12), 6317-6326, 2018 | 282 | 2018 |
Iterative qubit coupled cluster approach with efficient screening of generators IG Ryabinkin, RA Lang, SN Genin, AF Izmaylov Journal of chemical theory and computation 16 (2), 1055-1063, 2020 | 162 | 2020 |
Constrained variational quantum eigensolver: Quantum computer search engine in the Fock space IG Ryabinkin, SN Genin, AF Izmaylov Journal of chemical theory and computation 15 (1), 249-255, 2018 | 120 | 2018 |
Geometric phase effects in nonadiabatic dynamics near conical intersections IG Ryabinkin, L Joubert-Doriol, AF Izmaylov Accounts of chemical research 50 (7), 1785-1793, 2017 | 115 | 2017 |
Fast numerical evaluation of time-derivative nonadiabatic couplings for mixed quantum–classical methods IG Ryabinkin, J Nagesh, AF Izmaylov The journal of physical chemistry letters 6 (21), 4200-4203, 2015 | 94 | 2015 |
Geometric phase effects in dynamics near conical intersections: Symmetry breaking and spatial localization IG Ryabinkin, AF Izmaylov Physical Review Letters 111, 220406, 2013 | 92 | 2013 |
Revising the measurement process in the variational quantum eigensolver: is it possible to reduce the number of separately measured operators? AF Izmaylov, TC Yen, IG Ryabinkin Chemical science 10 (13), 3746-3755, 2019 | 90 | 2019 |
When do we need to account for the geometric phase in excited state dynamics? IG Ryabinkin, L Joubert-Doriol, AF Izmaylov The Journal of chemical physics 140 (21), 2014 | 76 | 2014 |
Reduction of electronic wave functions to Kohn-Sham effective potentials IG Ryabinkin, SV Kohut, VN Staroverov Physical review letters 115 (8), 083001, 2015 | 74 | 2015 |
Accurate and efficient approximation to the optimized effective potential for exchange IG Ryabinkin, AA Kananenka, VN Staroverov Physical Review Letters 111, 013001, 2013 | 72 | 2013 |
Geometric phase effects in low-energy dynamics near conical intersections: A study of the multidimensional linear vibronic coupling model L Joubert-Doriol, IG Ryabinkin, AF Izmaylov The Journal of chemical physics 139 (23), 2013 | 54 | 2013 |
Unitary transformation of the electronic hamiltonian with an exact quadratic truncation of the baker-campbell-hausdorff expansion RA Lang, IG Ryabinkin, AF Izmaylov Journal of Chemical Theory and Computation 17 (1), 66-78, 2020 | 49 | 2020 |
Improved method for generating exchange-correlation potentials from electronic wave functions E Ospadov, IG Ryabinkin, VN Staroverov The Journal of chemical physics 146 (8), 2017 | 49 | 2017 |
Why do mixed quantum-classical methods describe short-time dynamics through conical intersections so well? Analysis of geometric phase effects R Gherib, IG Ryabinkin, AF Izmaylov Journal of chemical theory and computation 11 (4), 1375-1382, 2015 | 48 | 2015 |
Hierarchy of model Kohn–Sham potentials for orbital-dependent functionals: A practical alternative to the optimized effective potential method SV Kohut, IG Ryabinkin, VN Staroverov The Journal of Chemical Physics 140 (18), 2014 | 47 | 2014 |
Removal of basis-set artifacts in Kohn–Sham potentials recovered from electron densities AP Gaiduk, IG Ryabinkin, VN Staroverov Journal of chemical theory and computation 9 (9), 3959-3964, 2013 | 41 | 2013 |
On the inclusion of the diagonal Born-Oppenheimer correction in surface hopping methods R Gherib, L Ye, IG Ryabinkin, AF Izmaylov The Journal of chemical physics 144 (15), 2016 | 40 | 2016 |
Efficient construction of exchange and correlation potentials by inverting the Kohn–Sham equations AA Kananenka, SV Kohut, AP Gaiduk, IG Ryabinkin, VN Staroverov The Journal of Chemical Physics 139 (7), 2013 | 40 | 2013 |
Shape‐Dependent Interactions of Palladium Nanocrystals with Hydrogen A Klinkova, PV Cherepanov, IG Ryabinkin, M Ho, M Ashokkumar, ... Small 12 (18), 2450-2458, 2016 | 38 | 2016 |
Average local ionization energy generalized to correlated wavefunctions IG Ryabinkin, VN Staroverov The Journal of Chemical Physics 141 (8), 084107, 2014 | 37 | 2014 |