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Chemistry

D-Index
54
Citations
8542
World Ranking
12808
National Ranking
348

Research.com Recognitions

  • 1984 - Fellow of Alfred P. Sloan Foundation

Overview

Ajit J. Thakkar is affiliated with the University of New Brunswick in Canada. Their research contributions span multiple fields, primarily focusing on Earth and Planetary Sciences as well as Chemistry. Within these domains, their work is particularly centered on Atmospheric Science and Physical and Theoretical Chemistry.

The main topics covered by their research include:

  • Atmospheric Ozone and Climate
  • Photochemistry and Electron Transfer Studies
  • Atmospheric Chemistry and Aerosols
  • History and Advancements in Chemistry

Recent publications by Ajit J. Thakkar demonstrate engagement with both chemical physics and computational chemistry. Selected papers include:

  • "Dipole oscillator strength distributions, sum rules, mean excitation energies, and isotropic van der Waals coefficients for benzene, pyridazine, pyrimidine, pyrazine, s-triazine, toluene, hexafluorobenzene, and nitrobenzene," 2020, The Journal of Chemical Physics
  • "Out with the old, in with the new," 2020, Computational and Theoretical Chemistry
  • "Fritz Grein and his scientific career exceeding 65 years," 2023, Computational and Theoretical Chemistry

Their peer-reviewed work has appeared predominantly in the following venues:

  • Computational and Theoretical Chemistry
  • The Journal of Chemical Physics

Throughout their career, Ajit J. Thakkar has not been documented as collaborating frequently with specific co-authors.

In recognition of their contributions, Ajit J. Thakkar was named a Fellow of the Alfred P. Sloan Foundation in 1984.

Best Publications

  • 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

  • Compact and accurate integral-transform wave functions. I. The 1 S 1 state of the helium-like ions from H − through Mg 1 0 +

    Ajit J. Thakkar;Vedene H. Smith

  • Multipole moments, polarizabilities, and hyperpolarizabilities for N2 from fourth‐order many‐body perturbation theory calculations

    George Maroulis;Ajit J. Thakkar

  • Ab initio dispersion coefficients for interactions involving rare-gas atoms

    Ajit J. Thakkar;Hinne Hettema;Paul E. S. Wormer

  • Improved Roothaan–Hartree–Fock wave functions for atoms and ions with N≤54

    Toshikatsu Koga;Shinya Watanabe;Katsutoshi Kanayama;Ryuji Yasuda

  • The generator coordinate method applied to variational perturbation theory. Multipole polarizabilities, spectral sums, and dispersion coefficients for helium

    Ajit J. Thakkar

  • Analytical Hartree–Fock wave functions for the atoms Cs to Lr

    Toshikatsu Koga;Katsutoshi Kanayama;Tadanori Watanabe;Takashi Imai

  • Analytical Hartree–Fock wave functions subject to cusp and asymptotic constraints: He to Xe, Li+ to Cs+, H− to I−

    Toshikatsu Koga;Katsutoshi Kanayama;Shinya Watanabe;Ajit J. Thakkar

  • The electron—electron cusp condition for the spherical average of the intracule matrix

    Ajit J. Thakkar;Vedene H. Smith

  • A new generalized expansion for the potential energy curves of diatomic molecules

    Ajit J. Thakkar

  • Comparison of kinetic-energy density functionals

    Ajit J. Thakkar

  • Higher dispersion coefficients: Accurate values for hydrogen atoms and simple estimates for other systems

    Ajit J. Thakkar

  • Double and quadruple zeta contracted Gaussian basis sets for hydrogen through neon

    Ajit J. Thakkar;Toshikatsu Koga;Maki Saito;Ruth E. Hoffmeyer

  • Oscillator strengths for S-P and P-D transitions in heliumlike ions.

    Natalie Mary Cann;Ajit J. Thakkar

  • 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

    R. R. Fuchs;F. R. W. McCourt;A. J. Thakkar;F. Grein

  • Polarizabilities and hyperpolarizabilities of carbon dioxide

    George Maroulis;Ajit J. Thakkar

  • Accurate charge densities and two‐electron intracule functions for the heliumlike ions

    Ajit J. Thakkar;Vedene H. Smith

  • Statistical electron correlation coefficients for the five lowest states of the heliumlike ions

    Ajit J. Thakkar;Vedene H. Smith

  • Compact and accurate integral-transform wave functions. II. The 2 /sup 1/S, 2 /sup 3/S, 2 /sup 1/P, and 2 /sup 3/P states of the helium-like ions from He through Mg/sup 10 +/

    Ajit J. Thakkar;Vedene H. Smith

  • Hyperpolarizabilities and polarizabilities of neon: Discrepancy between theory and experiment

    George Maroulis;Ajit J. Thakkar

Frequent Co-Authors

Vedene H. Smith
Vedene H. Smith Queen's University
George Maroulis
George Maroulis University of Patras
Jesús S. Dehesa
Jesús S. Dehesa University of Granada
William J. Meath
William J. Meath University of Western Ontario
Paul E. S. Wormer
Paul E. S. Wormer Radboud University
Russell J. Boyd
Russell J. Boyd Dalhousie University
Manuel Yáñez
Manuel Yáñez Autonomous University of Madrid
Christopher J. Cramer
Christopher J. Cramer UL Research Institutes
Pratim K. Chattaraj
Pratim K. Chattaraj Birla Institute of Technology, Mesra
Samuel Krimm
Samuel Krimm University of Michigan–Ann Arbor

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