Accession Number:

AD0658793

Title:

USE OF LINEAR NONSYMMETRIC EIGENVALUE EQUATIONS FOR A SUM-OVER-POINTS APPROACH: APPLICATION TO H2+,

Descriptive Note:

Corporate Author:

BOEING SCIENTIFIC RESEARCH LABS SEATTLE WASH

Personal Author(s):

Report Date:

1967-09-01

Pagination or Media Count:

18.0

Abstract:

Linear eigenvalue equations Summation, jl to jn sub c of c sub j H sub ij - epsilon S sub ij 0 in which the matrix components, H sub ij and S sub ij, as in the local energy method of Frost and coworkers, are sums over sets of points are proposed for computing approximate ground state eigenvalues epsilon and eigenvectors c sub j for the linear trial wave function phi Summation, jl to jn sub c of c sub j phi superscript j. Results paralleling those obtained by Frost, Kellogg and Curtis were achieved using these equations for calculations on H2 employing the same sets of points and basis functions.

Subject Categories:

  • Quantum Theory and Relativity

Distribution Statement:

APPROVED FOR PUBLIC RELEASE