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

Abstract

Linear eigenvalue equations Summation, j=l to j=n 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, j=l to j=n 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.

Document Details

Document Type
Technical Report
Publication Date
Sep 01, 1967
Accession Number
AD0658793

Entities

People

  • Charles M. Carlson

Organizations

  • Boeing

Tags

DTIC Thesaurus Topics

  • Differential Equations
  • Eigenvalues
  • Eigenvectors
  • Equations
  • Ground State
  • Mathematics
  • Wave Functions

Fields of Study

  • Physics

Readers

  • Analytical Mechanics
  • Finite Element Method (FEM) for solving Partial Differential Equations (PDEs)