Accession Number:

AD0600114

Title:

UPPER AND LOWER BOUNDS FOR RAYLEIGH-SCHRODINGER PERTURBATION ENERGIES,

Descriptive Note:

Corporate Author:

WISCONSIN UNIV MADISON THEORETICAL CHEMISTRY INST

Personal Author(s):

Report Date:

1964-02-26

Pagination or Media Count:

20.0

Abstract:

Variational principles for upper and lower bounds to all even order Rayleigh-Schrodinger perturbation energies are given. The upper bound for the second order energy is just the Hylleraas principle and the upper bounds for energies through 12th order are the same as those used by Knight and Scherr. The general upper bound principle for the 2nth order energy is equivalent to the variational principle obtained by Sinanoglu for the n-th order wave function, but our principle gives the exact 2nth order energy when the trial wave function is exact. The lower bounds for the even order energies are generalizations of the lower bound obtained by Prager and Hirschfelder for the second order. Author

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Distribution Statement:

APPROVED FOR PUBLIC RELEASE