Constrained-Variation Method Applied to Helium-Atom Wavefunctions
- 15 November 1970
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 53 (10), 3830-3832
- https://doi.org/10.1063/1.1673847
Abstract
The constrained‐variation method is applied to helium‐atom wavefunctions, using precise Pekeris values of electron moments both as constraints and as tests of the effectiveness of the method. The conclusions support the basic premise that constrained‐variation wavefunctions may better represent the true electron densities in a system than do the corresponding free‐variation functions.Keywords
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