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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 formHACK 发表于 2025-3-25 17:28:25
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.EVEN 发表于 2025-3-25 22:53:16
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).维持 发表于 2025-3-26 03:32:27
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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 Schrödinger equations have become available. The combination of the two has led to an outburst of theoretical work in condensed matter physics.