Strongly orthogonal geminals: size-extensive and variational reference states PR Surján, Á Szabados, P Jeszenszki, T Zoboki Journal of Mathematical Chemistry 50, 534-551, 2012 | 81 | 2012 |
NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods K Guther, RJ Anderson, NS Blunt, NA Bogdanov, D Cleland, N Dattani, ... The Journal of chemical physics 153 (3), 2020 | 76 | 2020 |
Perspectives of APSG‐based multireference perturbation theories P Jeszenszki, PR Nagy, T Zoboki, Á Szabados, PR Surján International Journal of Quantum Chemistry 114 (16), 1048-1052, 2014 | 51 | 2014 |
Accelerating the convergence of exact diagonalization with the transcorrelated method: Quantum gas in one dimension with contact interactions P Jeszenszki, H Luo, A Alavi, J Brand Physical Review A 98 (5), 053627, 2018 | 28 | 2018 |
-wave scattering length of a Gaussian potential P Jeszenszki, AY Cherny, J Brand Physical Review A 97 (4), 042708, 2018 | 28 | 2018 |
Local spin from strongly orthogonal geminal wavefunctions P Jeszenszki, V Rassolov, PR Surján, A Szabados Molecular Physics 113 (3-4), 249-259, 2015 | 27 | 2015 |
All-order explicitly correlated relativistic computations for atoms and molecules P Jeszenszki, D Ferenc, E Mátyus The Journal of Chemical Physics 154 (22), 2021 | 22 | 2021 |
Spin-adaptation and redundancy in state-specific multireference perturbation theory P Jeszenszki, PR Surján, Á Szabados The Journal of Chemical Physics 138 (12), 2013 | 21 | 2013 |
Variational Dirac–Coulomb explicitly correlated computations for atoms and molecules P Jeszenszki, D Ferenc, E Mátyus The Journal of Chemical Physics 156 (8), 2022 | 20 | 2022 |
Eliminating the wave-function singularity for ultracold atoms by a similarity transformation P Jeszenszki, U Ebling, H Luo, A Alavi, J Brand Physical Review Research 2 (4), 043270, 2020 | 20 | 2020 |
On the Breit interaction in an explicitly correlated variational Dirac–Coulomb framework D Ferenc, P Jeszenszki, E Mátyus The Journal of Chemical Physics 156 (8), 2022 | 19 | 2022 |
Variational vs perturbative relativistic energies for small and light atomic and molecular systems D Ferenc, P Jeszenszki, E Mátyus The Journal of Chemical Physics 157 (9), 2022 | 16 | 2022 |
On the inclusion of cusp effects in expectation values with explicitly correlated Gaussians P Jeszenszki, RT Ireland, D Ferenc, E Mátyus International Journal of Quantum Chemistry 122 (8), e26819, 2022 | 16 | 2022 |
Lower bounds for nonrelativistic atomic energies RT Ireland, P Jeszenszki, E Mátyus, R Martinazzo, M Ronto, E Pollak ACS Physical Chemistry Au 2 (1), 23-37, 2021 | 16 | 2021 |
Spin Symmetry and Size Consistency of Strongly Orthogonal Geminals P Jeszenszki, PR Surján, Á Szabados Journal of Chemical Theory and Computation 11 (7), 3096-3103, 2015 | 16 | 2015 |
Role of triplet states in geminal-based perturbation theory PR Surján, P Jeszenszki, Á Szabados Molecular Physics 113 (19-20), 2960-2963, 2015 | 14 | 2015 |
Efficient iterative diagonalization of the Bose–Hubbard model for ultracold bosons in a periodic optical trap Á Szabados, P Jeszenszki, PR Surján Chemical Physics 401, 208-216, 2012 | 10 | 2012 |
Novel orthogonalization and biorthogonalization algorithms: Towards multistate multiconfiguration perturbation theory Z Tóth, PR Nagy, P Jeszenszki, Á Szabados Theoretical Chemistry Accounts 134, 1-6, 2015 | 9 | 2015 |
Relativistic two-electron atomic and molecular energies using LS coupling and double groups: Role of the triplet contributions to singlet states P Jeszenszki, E Mátyus The Journal of Chemical Physics 158 (5), 2023 | 7 | 2023 |
The Bethe–Salpeter QED wave equation for bound-state computations of atoms and molecules E Mátyus, D Ferenc, P Jeszenszki, Á Margócsy ACS Physical Chemistry Au 3 (3), 222-240, 2023 | 7 | 2023 |