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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
51#
發(fā)表于 2025-3-30 09:05:30 | 只看該作者
Fast Ignition and Related Plasma Physicsis that the correlation-energy contribution to the ground-state energy may be small compared with the dominating contributions of the self-consistent field; however, when energy . with respect to the ground state are calculated, the changes in the correlation energy may become equal to or even large
52#
發(fā)表于 2025-3-30 14:13:06 | 只看該作者
53#
發(fā)表于 2025-3-30 18:16:01 | 只看該作者
https://doi.org/10.1007/978-3-030-20208-8e large SCF energy, it is often of the same order of magnitude as the energy . one wants to calculate. An example is the binding energy of atoms in molecules, to which correlations contribute considerably. They should therefore be considered an important ingredient of chemical bonding.
54#
發(fā)表于 2025-3-30 21:12:47 | 只看該作者
55#
發(fā)表于 2025-3-31 02:23:14 | 只看該作者
Anand Raghunathan,Niraj K. Jha,Sujit Deylectrons are treated as an ideal gas of fermions. The electrons move in an external potential, which is set up by the nuclei and the core electrons. The interactions between the conduction electrons are not considered, a somewhat astonishing fact given that the latter are not weak at all. Despite th
56#
發(fā)表于 2025-3-31 08:48:24 | 只看該作者
User Guided High Level Synthesis,tinues to do so. At the center of present-day interest is still the long-standing controversy of the relative importance of itinerant versus localized features of . electrons, which goes back to . [11.1] and . [11.2]. In order to avoid misunderstanding, it should be pointed out that, without doubt,
57#
發(fā)表于 2025-3-31 13:10:45 | 只看該作者
Sudipta Kundu,Sorin Lerner,Rajesh K. Guptaf atomic orbitals belonging to different atoms (resonance energies). The latter are characterized in a solid by the width .of the energy band under consideration. A large ratio . is expected in systems involving 4. or 5/ electrons, i.e., rare earth or actinide atoms. Yet systems with . electrons can
58#
發(fā)表于 2025-3-31 13:55:51 | 只看該作者
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