List of works - Ajit J. Thakkar

Accurate all-electron correlation energies for the closed-shell atoms from Ar to Rn and their relationship to the corresponding MP2 correlation energies

scientific article published on 01 January 2011

Clusters of glycolic acid with three to six water molecules

scientific article published on 01 February 2005

Comparison of kinetic-energy density functionals

scientific article published on 01 December 1992

Compton profiles and other momentum-space properties of N2

scientific article published on 01 December 1986

Coupled-cluster calculation of hyperpolarizabilities and polarizabilities for Be

scientific article published on 01 July 1989

Dipole oscillator strength distributions with improved high-energy behavior: dipole sum rules and dispersion coefficients for Ne, Ar, Kr, and Xe revisited

scientific article published on 01 February 2010

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

scientific article published on 01 September 2020

Does the most stable formic acid tetramer have pi stacking or C-H...O interactions?

scientific article published on 01 June 2006

Erratum: Roothaan-Hartree-Fock wave functions for atoms from Cs through U

scientific article published on 01 July 1994

Finite-field many-body-perturbation-theory calculation of the static hyperpolarizabilities and polarizabilities of Mg, Al+, and Ca

scientific article published on 01 November 1991

Ground-state energies for the helium isoelectronic series

scientific article published on 01 July 1994

How well do static electronic dipole polarizabilities from gas-phase experiments compare with density functional and MP2 computations?

scientific article

Leading corrections to atomic impulse-approximation Compton profiles: A density-functional approach

scientific article published on 01 October 1993

Methanol clusters (CH3OH)n: putative global minimum-energy structures from model potentials and dispersion-corrected density functional theory

scientific article published in June 2013

Modified zero-momentum energy expression: A general criterion for assessing the accuracy of approximate wave functions

scientific article published on 01 March 1988

Molecular quantum mechanics to biodynamics: Essential connections

scholarly article by Michael E. Colvin et al published May 2006 in Computational and Theoretical Chemistry

Moments of the Bethe surface and total inelastic x-ray scattering cross sections for H2

scientific article published on 01 December 1987

Moments of the quadrupole oscillator strength distribution for O2, N2, CO, HF, HCl, N2O, CO2, OCS, CS2 and C2H2: ab initio sum rule calculations

Momentum-space properties of N2

scientific article published on 01 December 1987

Momentum-space properties of N2: Improved configuration-interaction calculations

scientific article published on 01 August 1990

New Relationships Connecting the Dipole Polarizability, Radius, and Second Ionization Potential for Atoms ⬇️

scientific article published on December 15, 2011

Nonlocal Wigner-like correlation energy density functional: parametrization and tests on two-electron systems

scientific article published on 01 July 2007

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

scientific article published on 01 November 1992

Ozone: unresolved discrepancies for dipole oscillator strength distributions, dipole sums, and van der Waals coefficients

scientific article

Polarizabilities and hyperpolarizabilities for the atoms Al, Si, P, S, Cl, and Ar: Coupled cluster calculations

scientific article published on 01 January 2005

Polarizabilities of the alkali anions: Li- to Fr-

scientific article published on 01 November 2006

Position moments linearly averaged over Hartree-Fock orbitals

scientific article published on 01 April 1991

Relating polarizability to volume, ionization energy, electronegativity, hardness, moments of momentum, and other molecular properties

scientific article published on 01 August 2014

Roothaan-Hartree-Fock wave functions for atoms from Cs through U

scientific article published on 01 December 1993

Roothaan-Hartree-Fock wave functions for atoms with Z <= 54

scientific article published on 01 May 1993

Small-angle elastic scattering of high-energy electrons by H2, HD, and D2

scientific article published on 01 February 1994

Static hyperpolarizability of atomic lithium

scientific article published on 01 October 1994

Toward improved density functionals for the correlation energy

scientific article published on 01 October 2009

Water nanodroplets: predictions of five model potentials

scientific article published on 01 May 2013

Weakly bound ground states in three-body Coulomb systems with unit charges

scientific article published on 01 October 1992

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

scientific article published on 01 February 2012

List of works by Ajit J. Thakkar