Showing results (1-10 of 1,053) with videos related to
Sort By:
Pageof 106
The Journal of Chemical Physics|July 21, 2007
Nonlocal Wigner-like correlation energy density functional: parametrization and tests on two-electron systemsJacob Katriel, Michael Bauer, Michael Springborg, et al.The Journal of Chemical Physics|February 11, 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 BrShane P McCarthy, Ajit J ThakkarThe Journal of Chemical Physics|February 2, 2011
Accurate all-electron correlation energies for the closed-shell atoms from Ar to Rn and their relationship to the corresponding MP2 correlation energiesShane P McCarthy, Ajit J ThakkarThe Journal of Chemical Physics|October 10, 2009
Toward improved density functionals for the correlation energyAjit J Thakkar, Shane P McCarthyThe Journal of Chemical Physics|July 11, 2006
Nonuniversality of commonly used correlation-energy density functionalsJacob Katriel, Sudip Roy, Michael SpringborgThe Journal of Chemical Physics|December 21, 2004
A study of the adiabatic connection for two-electron systemsJacob Katriel, Sudip Roy, Michael SpringborgThe Journal of Chemical Physics|September 24, 2005
Effect of the one-body potential on interelectronic correlation in two-electron systemsJacob Katriel, Sudip Roy, Michael SpringborgThe Journal of Chemical Physics|April 17, 2012
The splitting of atomic orbitals with a common principal quantum number revisited: np vs. nsJacob KatrielThe Journal of Chemical Physics|October 2, 2020
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 nitrobenzeneAjit J ThakkarThe Journal of Chemical Physics|August 25, 2011
Ozone: unresolved discrepancies for dipole oscillator strength distributions, dipole sums, and van der Waals coefficientsAshok Kumar, Ajit J ThakkarPageof 106