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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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书目名称Electron Correlations in Molecules and Solids
编辑Peter Fulde
视频video
丛书名称Springer Series in Solid-State Sciences
图书封面Titlebook: Electron Correlations in Molecules and Solids;  Peter Fulde Book 19932nd edition Springer-Verlag Berlin Heidelberg 1993 Correlation Energy.
描述Quantum chemistry and solid-state theory are two importantrelated fields ofresearch that have grown up with almost nocross communication. This book brdges the gap between thetwo. In the first half, new concepts for treatingweak andstrong correlations are developed, and standardquantumchemical methods as well as denisty functional integral,andMonte Carlo methods are discussed. The second halfdiscussesapplications of the theory to molecules,semiconductors,homogeneous metallic systems, transition metals,andstrongly correlated systems such as heavy-fermion systemsand the new high-T superconducting materials.
出版日期Book 19932nd edition
关键词Correlation Energy; Electron Correlations; Heavy Fermions; Hubbard Models; Projection Techniques; molecul
版次2
doihttps://doi.org/10.1007/978-3-642-97477-9
isbn_ebook978-3-642-97477-9Series ISSN 0171-1873 Series E-ISSN 2197-4179
issn_series 0171-1873
copyrightSpringer-Verlag Berlin Heidelberg 1993
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Quantum-Chemical Approach to Electron Correlations,ctron problem. Its shortcomings were discussed in Sect. 2.8, where we showed that it is the correlation hole which every electron carries along that is missing in such an approach. The correlation hole prevents electrons from coming too close to each other and reduces their mutual Coulomb repulsion.
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Excited States,is 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
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Finite-Temperature Techniques,correlations not only on the ground state but also on the low-energy excitations of the system. Of particular interest is the partition function Z or the free energy . of the electrons. We can deduce from both quantities a number of static thermo-dynamic properties. The partition function is the tra
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Correlations in Atoms and Molecules,e 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.
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Semiconductors and Insulators,at most experiments in semiconductor physics can be described within a one-particle picture. It merely shows that the quasiparticle concept works very well in these systems. A noticeable exception is the fractional quantum Hall effect, which is based exclusively on correlations and in which the quas
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