| Troubleshooting time-dependent density-functional theory for photochemical applications: Oxirane F Cordova, LJ Doriol, A Ipatov, ME Casida, C Filippi, A Vela The Journal of chemical physics 127 (16), 2007 | 159 | 2007 |
| Computation of vibrational energy levels and eigenstates of fluoroform using the multiconfiguration time-dependent Hartree method LJ Doriol, F Gatti, C Iung, HD Meyer The Journal of chemical physics 129 (22), 2008 | 142 | 2008 |
| Excited-state spin-contamination in time-dependent density-functional theory for molecules with open-shell ground states A Ipatov, F Cordova, LJ Doriol, ME Casida Journal of Molecular Structure: THEOCHEM 914 (1-3), 60-73, 2009 | 136 | 2009 |
| 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 | 107 | 2017 |
| 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 | 75 | 2014 |
| Automatic computer procedure for generating exact and analytical kinetic energy operators based on the polyspherical approach M Ndong, L Joubert-Doriol, HD Meyer, A Nauts, F Gatti, D Lauvergnat The Journal of chemical physics 136 (3), 2012 | 63 | 2012 |
| 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 | 50 | 2013 |
| Automatic computer procedure for generating exact and analytical kinetic energy operators based on the polyspherical approach: General formulation and removal of singularities M Ndong, A Nauts, L Joubert-Doriol, HD Meyer, F Gatti, D Lauvergnat The Journal of chemical physics 139 (20), 2013 | 35 | 2013 |
| Topologically correct quantum nonadiabatic formalism for on-the-fly dynamics L Joubert-Doriol, J Sivasubramanium, IG Ryabinkin, AF Izmaylov The Journal of Physical Chemistry Letters 8 (2), 452-456, 2016 | 33 | 2016 |
| A perturbative formalism for electronic transitions through conical intersections in a fully quadratic vibronic model JS Endicott, L Joubert-Doriol, AF Izmaylov The Journal of Chemical Physics 141 (3), 034104, 2014 | 31 | 2014 |
| Diabatic Definition of Geometric Phase Effects AF Izmaylov, J Li, L Joubert-Doriol Journal of Chemical Theory and Computation 12 (11), 5278-5283, 2016 | 22 | 2016 |
| A quantum dynamics study of the benzopyran ring opening guided by laser pulses M Saab, LJ Doriol, B Lasorne, S Guérin, F Gatti Chemical Physics 442, 93-102, 2014 | 22 | 2014 |
| Suitable coordinates for quantum dynamics: Applications using the multiconfiguration time-dependent Hartree (MCTDH) algorithm L Joubert-Doriol, B Lasorne, F Gatti, M Schröder, O Vendrell, HD Meyer Computational and Theoretical Chemistry 990, 75-89, 2012 | 22 | 2012 |
| Problem-free time-dependent variational principle for open quantum systems L Joubert-Doriol, AF Izmaylov The Journal of Chemical Physics 142 (13), 134107, 2015 | 19 | 2015 |
| Nonadiabatic quantum dynamics with frozen-width Gaussians L Joubert-Doriol, AF Izmaylov The Journal of Physical Chemistry A 122 (29), 6031-6042, 2018 | 18 | 2018 |
| Variational nonadiabatic dynamics in the moving crude adiabatic representation: Further merging of nuclear dynamics and electronic structure L Joubert-Doriol, AF Izmaylov The Journal of Chemical Physics 148 (11), 2018 | 18 | 2018 |
| A generalised vibronic-coupling Hamiltonian model for benzopyran L Joubert-Doriol, B Lasorne, D Lauvergnat, HD Meyer, F Gatti The Journal of Chemical Physics 140 (4), 2014 | 17 | 2014 |
| Geometric phase effects in excited state dynamics through a conical intersection in large molecules: N-dimensional linear vibronic coupling model study J Li, L Joubert-Doriol, AF Izmaylov The Journal of Chemical Physics 147 (6), 2017 | 11 | 2017 |
| A generalized vibronic-coupling Hamiltonian for molecules without symmetry: Application to the photoisomerization of benzopyran B Gonon, B Lasorne, G Karras, L Joubert-Doriol, D Lauvergnat, F Billard, ... The Journal of Chemical Physics 150 (12), 2019 | 10 | 2019 |
| Molecular “topological insulators”: a case study of electron transfer in the bis (methylene) adamantyl carbocation L Joubert-Doriol, AF Izmaylov Chemical communications 53 (53), 7365-7368, 2017 | 10 | 2017 |
Artur IzmaylovUniversity of TorontoZweryfikowany adres z utoronto.ca
