Titlebook: Correlation and Localization; Péter R. Surján,R. J. Bartlett,S. Vogtner Book 1999 Springer-Verlag Berlin Heidelberg 1999 Electron Korrelat

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書目名稱Correlation and Localization影響因子(影響力)




書目名稱Correlation and Localization影響因子(影響力)學(xué)科排名




書目名稱Correlation and Localization網(wǎng)絡(luò)公開度




書目名稱Correlation and Localization網(wǎng)絡(luò)公開度學(xué)科排名




書目名稱Correlation and Localization被引頻次




書目名稱Correlation and Localization被引頻次學(xué)科排名




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書目名稱Correlation and Localization讀者反饋




書目名稱Correlation and Localization讀者反饋學(xué)科排名

CYT

Culpable

An Introduction to the Theory of Geminals,itals accounting for intra-orbital correlation effects. Geminal-based methods can be tailored to be variational as well as size-consistent and size-extensive. In spite of these appealing features, geminals became somewhat eclipsed in modern quantum chemistry because of their relative complexity and

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Extended Geminal Models,rastically reduced the computation time at the cost of a very small reduction in accuracy, is introduced. A review of the applications of the extended geminal models to studies of intermolecular interactions is given, and the neon dimer is considered in more detail to illustrate the properties of th

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Ab Initio Modern Valence Bond Theory,lled SCVB* strategy, which employs optimised virtual orbitals to reduce still further the number of nonorthogonal configurations required in accurate calculations of ground and excited state potential energy surfaces. We also outline the CASVB approach, which may be used to generate modern valence b

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Modern Correlation Theories for Extended, Periodic Systems,nvergence with infinite summations over lattices and integrations over reciprocal vectors are addressed. We also consider the comparative advantages of Bloch orbitals and Wannier orbitals. The applications of MBPT(2) to polymers for determining their equilibrium structures, vibrational frequences, X

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步履蹣跚

美學(xué)

Electron Correlation and Reduced Density Matrices,antization. The fundamental relations of this theory lead here to a discussion of the correlation effects and their connexion with two properties of the group functions frequently studied by Prof. Ede Kapuy: strong orthogonality and the concept of independence. The other aim of this paper is to exam

myriad

Localization via Density Functionals,th the phenomenon of Wigner electron crystallization. This is followed by a brief treatment of localized versus molecular orbital theories of electrons, illustrated by the stretched H. molecule. Then a synthesis of density functional and density matrix theory is effected by deriving, following Holas