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Ajit J. Thakkar
Ajit J. Thakkar
Professor Emeritus of Chemistry, University of New Brunswick
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Intermolecular forces via hybrid Hartree–Fock–SCF plus damped dispersion (HFD) energy calculations. An improved spherical model
C Douketis, G Scoles, S Marchetti, M Zen, AJ Thakkar
The Journal of Chemical Physics 76 (6), 3057-3063, 1982
3681982
Compact and accurate integral-transform wave functions. I. The state of the helium-like ions from through
AJ Thakkar, VH Smith Jr
Physical Review A 15 (1), 1, 1977
3191977
Multipole moments, polarizabilities, and hyperpolarizabilities for N2 from fourth‐order many‐body perturbation theory calculations
G Maroulis, AJ Thakkar
The Journal of chemical physics 88 (12), 7623-7632, 1988
1731988
Ab initio dispersion coefficients for interactions involving rare‐gas atoms
AJ Thakkar, H Hettema, PES Wormer
The Journal of chemical physics 97 (5), 3252-3257, 1992
1671992
Improved Roothaan–Hartree–Fock wave functions for atoms and ions with N≤54
T Koga, S Watanabe, K Kanayama, R Yasuda, AJ Thakkar
The Journal of chemical physics 103 (8), 3000-3005, 1995
1641995
The Generator Coordinate Method Applied to Variational Perturbation Theory. Multipole Polarizabilities, Spectral Sums and Dispersion Coefficients for Helium.
AJ Thakkar
J. Chem. Phys. 75, 4496-4501, 1981
1531981
The electron—electron cusp condition for the spherical average of the intracule matrix
AJ Thakkar, VH Smith Jr
Chemical Physics Letters 42 (3), 476-481, 1976
1501976
A new generalized expansion for the potential energy curves of diatomic molecules
AJ Thakkar
The Journal of Chemical Physics 62 (5), 1693-1701, 1975
1451975
Analytical Hartree–Fock wave functions subject to cusp and asymptotic constraints: He to Xe, Li+ to Cs+, H to I
T Koga, K Kanayama, S Watanabe, AJ Thakkar
International journal of quantum chemistry 71 (6), 491-497, 1999
1411999
Double and quadruple zeta contracted gaussian basis sets for hydrogen through neon
AJ Thakkar, T Koga, M Saito, RE Hoffmeyer
International Journal of Quantum Chemistry 48 (S27), 343-354, 1993
1251993
Comparison of kinetic-energy density functionals
AJ Thakkar
Physical Review A 46 (11), 6920, 1992
1231992
Ground-state energies for the helium isoelectronic series
AJ Thakkar, T Koga
Physical Review A 50 (1), 854, 1994
1191994
Oscillator strengths for S-P and P-D transitions in heliumlike ions
NM Cann, AJ Thakkar
Physical Review A 46 (9), 5397, 1992
1191992
Higher dispersion coefficients: Accurate values for hydrogen atoms and simple estimates for other systems
AJ Thakkar
The Journal of chemical physics 89 (4), 2092-2098, 1988
1151988
Polarizabilities and hyperpolarizabilities of carbon dioxide
G Maroulis, AJ Thakkar
The Journal of chemical physics 93 (6), 4164-4171, 1990
1101990
Analytical Hartree–Fock wave functions for the atoms Cs to Lr
T Koga, K Kanayama, T Watanabe, T Imai, AJ Thakkar
Theoretical Chemistry Accounts 104, 411-413, 2000
1052000
Roothaan-Hartree-Fock wave functions for atoms with Z≤54
T Koga, H Tatewaki, AJ Thakkar
Physical Review A 47 (5), 4510, 1993
1001993
Two new anisotropic potential energy surfaces for nitrogen-helium: the use of Hartree-Fock SCF calculations and a combining rule for anisotropic long-range dispersion coefficients
RR Fuchs, FRW McCourt, AJ Thakkar, F Grein
The Journal of Physical Chemistry 88 (10), 2036-2045, 1984
981984
Compact and accurate integral-transform wave functions. II. The 21S, 23S, 21P, and 23P States of the Heliumlike Ions from He through Mg10+.
AJ Thakkar, VH Smith Jr
Phys. Rev. A 15, 16-22, 1977
951977
Hyperpolarizabilities and polarizabilities of neon: Discrepancy between theory and experiment
G Maroulis, AJ Thakkar
Chemical physics letters 156 (1), 87-90, 1989
851989
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