Improved Quantum Theory of Many-Electron Systems. IV. Properties of GF Wavefunctions
William A. Goddard III
1968J. Chem. Phys., 48(12), 5337-534745cited
Abstract
The GF method for obtaining accurate many‐electron wavefunctions was described in a previous paper. In this paper, some of the properties of this method are explored, and it is shown that the Hellmann–Feynman, Koopmans', and Brillouin's theorems apply to GF wavefunctions. Calculations are reported on Li_2, CH_4, and CH_3 in order to demonstrate some aspects of the method.
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III, W. A. G. (1968). Improved Quantum Theory of Many-Electron Systems. IV. Properties of GF Wavefunctions. *J. Chem. Phys.*, *48*(12), 5337-5347. https://doi.org/10.1063/1.1668225