Volume 2, 1968

Calculations on some simple systems using a new variation principle

Abstract

Calculations of upper and lower bounds for the energies of some one-electron atoms and other systems are discussed. These employ a new form of variation principle which permits the use of discontinuous trial wavefunctions and which is generally superior to the traditional principle. The implications of this principle for future calculations are also discussed.

Article information

Article type
Paper

Symp. Faraday Soc., 1968,2, 69-72

Calculations on some simple systems using a new variation principle

G. G. Hall, Symp. Faraday Soc., 1968, 2, 69 DOI: 10.1039/SF9680200069

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