Jingoism 发表于 2025-3-25 04:08:31
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Kohn-Sham Schemet applicable is based on the idea of Kohn and Sham to project the interacting electron gas onto a non-interacting reference or auxiliary system. More in detail, the Kohn-Sham ansatz replaces the problem of interacting electrons by an auxiliary independent-particle problem, where all many-body effectInelasticity 发表于 2025-3-25 21:46:07
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Energies and Forces the sample volume makes a generalization to an ‘.’ thermodynamics possible, which does however not account for the lattice vibrations. Thermodynamic properties can be characterized by the grand canonical potential as a function of the chemical potentials of atoms or molecules forming the matter. Gl轻浮女 发表于 2025-3-26 08:04:57
Non-local Exchange and Correlationonal theory become obvious for subsystems of localized . or . electrons. In particular, the correlation is not correctly described. One speaks about ‘strongly correlated’ electrons and materials. One idea to solve the correlation problem is the description of the missing effect by on-site Coulomb inNegligible 发表于 2025-3-26 10:28:04
Description of Electron Ensemblety functional theory. The treatment of the motion and interaction of individual electrons by means of creation and annihilation operators suggests to introduce appropriate expectation values. The time evolution of the fermion field operators is described by Heisenberg equations of motion. The mutual压迫 发表于 2025-3-26 15:17:25
Thermodynamic Green Functionsions in condensed matter needs, at least, together with the quantum-statistical approach. Nevertheless, we start with a single quantum particle embedded in the electron gas. Propagators of electrons and holes are studied as expectation values of pairs of field operators. They allow the introduction诱骗 发表于 2025-3-26 18:10:00
Set of Fundamental Equations quantities depend on a vanishing external perturbation, the response to it results in their functional derivatives. After linearization important physics enters the mathematical representation by the occurrence of response functions, the density correlation function as a variational derivative of t