| Universal Gaussian basis set for accurate ab initio /P relat ivistic Dirac-Fock calculations GL Malli, ABF Da Silva, Y Ishikawa Physical Review A 47 (1), 143, 1993 | 196 | 1993 |
| Relativistic self‐consistent‐field (RSCF) theory for closed‐shell molecules G Malli, J Oreg The Journal of Chemical Physics 63 (2), 830-841, 1975 | 144 | 1975 |
| Validity of first-order perturbation theory for relativistic energy corrections ER Davidson, Y Ishikawa, GL Malli Chemical Physics Letters 84 (2), 226-227, 1981 | 126 | 1981 |
| Many-electron systems: Properties and interactions S Fraga, G Malli, LH Thomas American Journal of Physics 36 (10), 923-924, 1968 | 124 | 1968 |
| Nuclear magnetic shielding constants calculated from numerical hartree‐fock wave functions G Malli, C Froese International Journal of Quantum Chemistry 1 (S1), 95-98, 1967 | 121 | 1967 |
| Relativistic effects in atoms, molecules, and solids GL Malli Springer Science & Business Media, 2012 | 113 | 2012 |
| Dirac-Fock-Breit self-consistent-field method: Gaussian basis-set calculations on many-electron atoms Y Ishikawa, HM Quiney, GL Malli Physical Review A 43 (7), 3270, 1991 | 108 | 1991 |
| Highly accurate relativistic universal Gaussian basis set: Dirac–Fock–Coulomb calculations for atomic systems up to nobelium GL Malli, ABF Da Silva, Y Ishikawa The Journal of chemical physics 101 (8), 6829-6833, 1994 | 89 | 1994 |
| Relativistic and electron correlation effects in molecules and solids J Paldus, GL Malli NATO ASI Series B: Physics 318, 207-282, 1994 | 88 | 1994 |
| Relativistic self‐consistent‐field methods for molecules. I. Dirac–Fock multiconfiguration self‐consistent‐field theory for molecules and a single‐determinant Dirac–Fock self … O Matsuoka, N Suzuki, T Aoyama, G Malli The Journal of Chemical Physics 73 (3), 1320-1328, 1980 | 87 | 1980 |
| Ab initio fully relativistic molecular calculations: bonding in gold hydride GL Malli, NC Pyper Proceedings of the Royal Society of London. A. Mathematical and Physical …, 1986 | 66 | 1986 |
| Relativistic and electron correlation effects in molecules and solids GL Malli Springer Science & Business Media, 2013 | 57 | 2013 |
| Ab initio all‐electron Dirac–Fock–Breit calculations for UF6 GL Malli, J Styszynski The Journal of chemical physics 104 (3), 1012-1017, 1996 | 56 | 1996 |
| Molecular Schrödinger Equation. IX. Square and Rectangular States of H4 and the Molecular Ions H43+ and H42+ H Conroy, G Malli The Journal of Chemical Physics 50 (12), 5049-5065, 1969 | 55 | 1969 |
| Calculated electronic structure of clusters R Arratia-Perez, AF Ramos, GL Malli Physical Review B 39 (5), 3005, 1989 | 53 | 1989 |
| Ab initio all-electron fully relativistic Dirac–Fock–Breit calculations for molecules of the superheavy transactinide elements: Rutherfordium tetrachloride GL Malli, J Styszynski The Journal of chemical physics 109 (11), 4448-4455, 1998 | 50 | 1998 |
| Dirac scattered-wave calculations on an icosahedral cluster AF Ramos, R Arratia-Perez, GL Malli Physical Review B 35 (8), 3790, 1987 | 47 | 1987 |
| Relativistic molecular symmetry spinors for diatomics J Oreg, G Malli The Journal of Chemical Physics 61 (10), 4349-4356, 1974 | 47 | 1974 |
| Relativistic effects in bonding and dipole moments for the diatomic hydrides of the sixth-row heavy elements AF Ramos, NC Pyper, GL Malli Physical Review A 38 (6), 2729, 1988 | 43 | 1988 |
| Molecular integrals involving hulthén-type functions (n= l STO) in relativistic quantum chemistry G Malli Chemical Physics Letters 78 (3), 578-580, 1981 | 43 | 1981 |
