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Titlebook: Electron Correlations in Molecules and Solids; Peter Fulde Book 19932nd edition Springer-Verlag Berlin Heidelberg 1993 Correlation Energy.

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樓主: Localized
21#
發(fā)表于 2025-3-25 05:05:20 | 只看該作者
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Introduction,und-state wavefunction of H. treats the two electrons as being strongly correlated, i.e., by excluding ionic configurations the two electrons stay completely out of each other’s way. The ground state is a singlet and has the form
24#
發(fā)表于 2025-3-25 17:28:25 | 只看該作者
Quantum-Chemical Approach to Electron Correlations, The concept of the local correlation hole becomes crucial later if we are to understand why local operators prove particularly suitable for describing electron correlations (Chap. 5). In this chapter we will discuss the most important quantum-chemical methods used for treating electron correlations.
25#
發(fā)表于 2025-3-25 22:53:16 | 只看該作者
Excited States,r than those resulting from changes in the self-consistent field. For example, in a semiconductor (or insulator) like diamond, the energy gap for exciting an electron from the valence into the conduction band is reduced by a factor of 1/2 due to correlations (Chap. 9).
26#
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30#
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https://doi.org/10.1007/978-3-319-27013-5ty functional theory, new and powerful linearized methods for solving single-particle Schr?dinger equations have become available. The combination of the two has led to an outburst of theoretical work in condensed matter physics.
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