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Second-order correlation diagrams for hartree-fock functions

โœ Scribed by A. N. Ivanova; U. I. Safronova; V. N. Kharitonova


Book ID
112363410
Publisher
Springer
Year
1970
Tongue
English
Weight
249 KB
Volume
4
Category
Article
ISSN
0040-5760

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๐Ÿ“œ SIMILAR VOLUMES


Second-order correlation correction to t
โœ Ludwik Adamoqicz; Andrzej J. Sadlej ๐Ÿ“‚ Article ๐Ÿ“… 1978 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 507 KB

The second-order correlation correction to the coupled Hartree-Fock perturbed energies is defined as the f&.t nonvanishing contribution due to perturbation-dependent correlation potential. This correction in fact includes some of higberorder correlation diagrams which appear due to perturbation-indu

Improved perturbed uncoupled Hartree-Foc
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a) This term is named in ref. [lo] as E$ll/(l -k) vtith k = E :1 I/&~ll To get the total chemiclll shift one has to add another term. b) cf. ref. [9]. c) Chemical shift of the proton at the innermost hexagon. the ordinary UCHE: theory (with geometric approdmation). In the IUCHF-II method the singJe

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โœ H. Vogler ๐Ÿ“‚ Article ๐Ÿ“… 1979 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 263 KB

## Abstract Different kinds of improved uncoupled Hartreeโ€“Fock methods are proposed for the calculation of secondโ€order perturbation energies. Using these methods inequalities are derived for the error of the uncoupled procedure with geometric approximation.

Analytic evaluation of second derivative
โœ John F. Stanton; Jรผrgen Gauss; Rodney J. Bartlett ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 352 KB

Explicit spin-orbital equations are presented for the second derivative of the second-order many-body perturbation theory energy based on unrestricted Hartree-Fock reference functions, and their implementation is briefly discussed. Results are reported for the electric polarizabilities, harmonic vib