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 | 3046 | 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 | 669 | 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 | 164 | 2013 |
Frozen natural orbitals for ionized states within equation-of-motion coupled-cluster formalism A Landau, K Khistyaev, S Dolgikh, AI Krylov The Journal of chemical physics 132 (1), 2010 | 135 | 2010 |
Intermediate Hamiltonian Fock-space coupled-cluster method: Excitation energies of barium and radium A Landau, E Eliav, Y Ishikawa, U Kaldor The Journal of Chemical Physics 113 (22), 9905-9910, 2000 | 134 | 2000 |
Intermediate Hamiltonian Fock-space coupled-cluster method A Landau, E Eliav, U Kaldor Chemical physics letters 313 (1-2), 399-403, 1999 | 131 | 1999 |
Intermediate Hamiltonian Fock-space coupled-cluster method A Landau, E Eliav, U Kaldor Chemical physics letters 313 (1-2), 399-403, 1999 | 131 | 1999 |
Electronic structure and spectroscopy of nucleic acid bases: ionization energies, ionization-induced structural changes, and photoelectron spectra KB Bravaya, O Kostko, S Dolgikh, A Landau, M Ahmed, AI Krylov The Journal of Physical Chemistry A 114 (46), 12305-12317, 2010 | 106 | 2010 |
Electronic structure of eka-lead (element 114) compared with lead A Landau, E Eliav, Y Ishikawa, U Kaldor The Journal of Chemical Physics 114 (7), 2977-2980, 2001 | 93 | 2001 |
Mixed-sector intermediate Hamiltonian Fock-space coupled cluster approach A Landau, E Eliav, Y Ishikawa, U Kaldor The Journal of chemical physics 121 (14), 6634-6639, 2004 | 70 | 2004 |
Intermediate Hamiltonian Fock-space coupled cluster method in the one-hole one-particle sector: Excitation energies of xenon and radon A Landau, E Eliav, Y Ishikawa, U Kaldor The Journal of Chemical Physics 115 (15), 6862-6865, 2001 | 69 | 2001 |
Intermediate Hamiltonian Fock-space coupled-cluster method A Landau, E Eliav, U Kaldor Advances in Quantum Chemistry 39, 171-188, 2001 | 62 | 2001 |
Benchmark calculations of electron affinities of the alkali atoms sodium to eka-francium (element 119) A Landau, E Eliav, Y Ishikawa, U Kaldor The Journal of Chemical Physics 115 (6), 2389-2392, 2001 | 61 | 2001 |
Cooperative effects in molecular conduction A Landau, L Kronik, A Nitzan Journal of Computational and Theoretical Nanoscience 5 (4), 535-544, 2008 | 51 | 2008 |
Electronic structure of eka-thorium (element 122) compared with thorium E Eliav, A Landau, Y Ishikawa, U Kaldor Journal of Physics B: Atomic, Molecular and Optical Physics 35 (7), 1693, 2002 | 45 | 2002 |
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, ... Chem. Commun 54, 6883-6886, 2018 | 42 | 2018 |
Atomic and molecular complex resonances from real eigenvalues using standard (hermitian) electronic structure calculations A Landau, I Haritan, PR Kaprálová-Žd’ánská, N Moiseyev The Journal of Physical Chemistry A 120 (19), 3098-3108, 2016 | 40 | 2016 |
Polyatomic ab Initio Complex Potential Energy Surfaces: Illustration of Ultracold Collisions D Bhattacharya, A Ben-Asher, I Haritan, M Pawlak, A Landau, N Moiseyev Journal of chemical theory and computation 13 (4), 1682-1690, 2017 | 29 | 2017 |
Molecular resonances by removing complex absorbing potentials via Padé; application to CO− and N 2− A Landau, N Moiseyev The Journal of Chemical Physics 145 (16), 2016 | 21 | 2016 |
Cooperative effects in molecular conduction II: the semiconductor− metal molecular junction A Landau, A Nitzan, L Kronik The Journal of Physical Chemistry A 113 (26), 7451-7460, 2009 | 20 | 2009 |