MULTICONFIGURATIONAL TIME-DEPENDENT HARTREE-FOCK APPROACH Academic Article uri icon

abstract

  • An extension of the time-dependent Hartree-Fock approximation to employ a multiconfiguration Hartree-Fock state as reference state has been developed. Preliminary multiconfiguration time-dependent Hartree-Fock calculations with the ground state of the Be atom using the configurations 2s2 and 2p2 show a maximum deviation from the experimental excitation energies of 0.31 eV for the lowest 16 excitations, with an average deviation of 0.18 eV. 1979.

published proceedings

  • CHEMICAL PHYSICS LETTERS

author list (cited authors)

  • YEAGER, D. L., & JORGENSEN, P.

citation count

  • 168

complete list of authors

  • YEAGER, DL||JORGENSEN, P

publication date

  • August 1979