Accession Number : AD0628120

Title :   A NOTE ON THE VARIATION-PERTURBATION METHOD FOR EXCITED STATES.

Descriptive Note : Technical rept.,

Corporate Author : MALLINCKRODT CHEMICAL LAB HARVARD UNIV CAMBRIDGE MASS

Personal Author(s) : Miller,William H.

Report Date : 1964

Pagination or Media Count : 6

Abstract : Sinanoglu has shown that the variation-perturbation method yields an upper bound to the second-order perturbation energy for an excited state if the form of the trial function is suitably restricted. It is shown that the restriction on the trial function can in principle be relaxed from the one specified by Sinanoglu. From this more general form of the constraint it is easy to see why approximate calculations that impose no restrictions at all on the trial function are very likely to give a second-order perturbation energy which lies above the true value. (Author)

Descriptors :   (*EXCITATION, PERTURBATION THEORY), (*PERTURBATION THEORY, CALCULUS OF VARIATIONS), QUANTUM THEORY, MATRICES(MATHEMATICS)

Subject Categories : Physical Chemistry
      Quantum Theory and Relativity

Distribution Statement : APPROVED FOR PUBLIC RELEASE