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Titlebook: Many-Electron Approaches in Physics, Chemistry and Mathematics; A Multidisciplinary Volker Bach,Luigi Delle Site Book 2014 Springer Intern

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樓主: Diverticulum
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發(fā)表于 2025-3-27 00:13:19 | 只看該作者
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Quantum Cluster Equilibriumgation of fluid phases and phase transitions. In that contribution, a conceptual overview is given. It is explained, how a limited number of molecular clusters is employed for the description of the liquid phase and the computation of thermodynamic properties. Herein, high-level electronic structure
34#
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發(fā)表于 2025-3-28 00:15:55 | 只看該作者
Density Functional Theory for Strongly-Interacting Electronsn-interacting Kohn–Sham model, in practice only approximate expressions for the exchange-correlation term are available. For decades, a large number of such approximations have been developed, proving enormously successful and accurate for applications in many different fields. However, there still
38#
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Mathematical Aspects of Density Functionals and Density Matrix Functionals in Quantum Chemistry approximations for the exchange correlations—the Hartree–Fock approximation, the local density approximation, and the Müller approximation—are defined and discussed. The G-, P-, Q-Conditions and also the .- and .-Conditons deriving from .-representability are introduced and used to derive lower bou
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