
Accession Number : AD0658037
Title : THE GROUND STATE OF ATOMIC TWOELECTRON SYSTEMS IN THE INDEPENDENT PARTICLE MODEL,
Corporate Author : UPPSALA UNIV (SWEDEN) QUANTUM CHEMISTRY GROUP
Personal Author(s) : TEN Hoor,Marten J.
Report Date : 01 JUL 1967
Pagination or Media Count : 42
Abstract : Scaled variational functions of the form (Phi sub alpha(k)) = e exp. (Z1+e exp. (alpha(kr)))kr, where Z is the nuclear charge and alpha is a parameter, and (Phi sub beta(alpha)(k)) = exp. (beta + e exp (alpha(kr)))kr, where both alpha and beta are parameters, are used for the description of the ground state of atomic twoelectron systems in the independent particle model. The scale factor k has been introduced in order to satisfy the virial theorem. Apart from the energy, a number of oneelectron expectation values have been calculated and the results are compared with those obtained from other variational functions. The function (Phi sub alpha(k)) yields already a good approximation to the HartreeFock solution whereas with the function (Phi sub beta(alpha)(k)) the HartreeFock results are practically reproduced. (Author)
Descriptors : (*ATOMIC ORBITALS, WAVE FUNCTIONS), (*GROUND STATE, WAVE FUNCTIONS), HARTREEFOCK APPROXIMATION, HELIUM, SPECIAL FUNCTIONS(MATHEMATICAL), SWEDEN
Subject Categories : Atomic and Molecular Physics and Spectroscopy
Quantum Theory and Relativity
Distribution Statement : APPROVED FOR PUBLIC RELEASE