Ajit J. Thakkar

Affiliations: 
University of New Brunswick (Canada) 
Area:
Atomic Physics
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"Ajit Thakkar"
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Vedene H. Smith grad student 1976 Queen's University, Canada (Chemistry Tree)
 (Techniques for the construction and analysis of intermolecular potential energy functions and atomic wavefunctions.)
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Publications

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Blair SA, Thakkar AJ. (2014) Relating polarizability to volume, ionization energy, electronegativity, hardness, moments of momentum, and other molecular properties. The Journal of Chemical Physics. 141: 074306
Kazachenko S, Bulusu S, Thakkar AJ. (2013) Methanol clusters (CH3OH)n: putative global minimum-energy structures from model potentials and dispersion-corrected density functional theory. The Journal of Chemical Physics. 138: 224303
Kazachenko S, Thakkar AJ. (2013) Water nanodroplets: predictions of five model potentials. The Journal of Chemical Physics. 138: 194302
McCarthy SP, Thakkar AJ. (2012) When does the non-variational nature of second-order Møller-Plesset energies manifest itself? All-electron correlation energies for open-shell atoms from K to Br. The Journal of Chemical Physics. 136: 054107
Hohm U, Thakkar AJ. (2012) New relationships connecting the dipole polarizability, radius, and second ionization potential for atoms. The Journal of Physical Chemistry. A. 116: 697-703
Kumar A, Thakkar AJ. (2011) Ozone: unresolved discrepancies for dipole oscillator strength distributions, dipole sums, and van der Waals coefficients. The Journal of Chemical Physics. 135: 074303
McCarthy SP, Thakkar AJ. (2011) Accurate all-electron correlation energies for the closed-shell atoms from Ar to Rn and their relationship to the corresponding MP2 correlation energies. The Journal of Chemical Physics. 134: 044102
Kumar A, Thakkar AJ. (2010) Dipole oscillator strength distributions with improved high-energy behavior: dipole sum rules and dispersion coefficients for Ne, Ar, Kr, and Xe revisited. The Journal of Chemical Physics. 132: 074301
Thakkar AJ, McCarthy SP. (2009) Toward improved density functionals for the correlation energy. The Journal of Chemical Physics. 131: 134109
Katriel J, Bauer M, Springborg M, et al. (2007) Nonlocal Wigner-like correlation energy density functional: parametrization and tests on two-electron systems. The Journal of Chemical Physics. 127: 024101
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