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Application of Local Energy Method to the Estimation of the Correlation in Geminals

✍ Scribed by I. Ts. Lyast; A. Ya. Biktimirov

Publisher
John Wiley and Sons
Year
1973
Tongue
English
Weight
275 KB
Volume
7
Category
Article
ISSN
0020-7608

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πŸ“œ SIMILAR VOLUMES

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A theory is developed in which closed-shell molecules are viewed as systems of weakly interacting chemical bonds. Composite-particle creation operators obtained by an appropriate quasiparticle transformation are used to create the wave function of two-electron bonds. These quasiparticles are bosons,

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## Abstract A scheme for obtaining approximate solutions of the electronic SchrΓΆdinger equation is formulated within the context of the method of moments. The flexibility of the method of moments is utilized in the construction of a model based on an antisymmetric product of geminals (APG). This AP

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## Abstract The calculation results of electron correlation energies of KF and (KF)~2~ were reported. The transferability of ls~K~^2^, ls~F~^2^ and the inner core correlation effects of K and F in both K, K^+^, KF and F, F^‐^, KF systems were investigated respectively. The correlation energy contri