Accession Number : AD0435714


Title :   FIRST-ORDER PERTURBATION CORRECTIONS TO THE HARTREE-FOCK APPROXIMATION FOR HELIUM


Corporate Author : NATIONAL BUREAU OF STANDARDS GAITHERSBURG MD


Personal Author(s) : Weiss, A W ; Martin, J B


Full Text : https://apps.dtic.mil/dtic/tr/fulltext/u2/435714.pdf


Report Date : 18 Jul 1963


Pagination or Media Count : 7


Abstract : Variational perturbation theory has been used to compute the first- order wave function for the ground state of the helium atom, in a scheme where the Hartree-Fock function is treated as the zeroth-order approximation. The first-order function was approximated by a Hylleraas-like expansion. A total energy through third order of -2.90262 a.u., as compared with the nonrelativistic eigenvalue of -2.90372 was obtained. The first-order corrections to expectation values of a selection of one- and two-electron operators have been computed. The calculations have also been done for the isoelectronic ions, H(-), Li(+), and Be(+).


Descriptors :   *HELIUM , *PERTURBATION THEORY , *ATOMIC ORBITALS , ERRORS , POWER SERIES , HARTREE FOCK APPROXIMATION , GROUND STATE , REPRINTS , SPECIAL FUNCTIONS(MATHEMATICS) , CORRECTIONS , QUANTUM THEORY , WAVE FUNCTIONS


Subject Categories : Atomic and Molecular Physics and Spectroscopy


Distribution Statement : APPROVED FOR PUBLIC RELEASE