USE OF LINEAR NONSYMMETRIC EIGENVALUE EQUATIONS FOR A SUM-OVER-POINTS APPROACH: APPLICATION TO H2+,
BOEING SCIENTIFIC RESEARCH LABS SEATTLE WASH
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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.
- Quantum Theory and Relativity