A 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., & Jrgensen, P.

citation count

  • 164

complete list of authors

  • Yeager, Danny L||Jørgensen, Poul

publication date

  • August 1979