Canary
发表于 2025-3-23 11:47:19
Foundations of Density Functional Theory: Existence Theorems,The starting point of any discussion of DFT is the Hohenberg-Kohn (HK) theorem . It represents the most basic of a number of existence theorems which ensure that stationary many-particle systems can be characterized (fully) by the ground state density and closely related quantities.
吵闹
发表于 2025-3-23 15:35:03
Effective Single-Particle Equations,Let us return to the simplest situation considered so far, i.e. to a Hamiltonian of type (2.1) with a non-degenerate ground state. For this system the Hohenberg-Kohn theorem states that knowledge of the ground state density is sufficient to determine all ground state observables.
物种起源
发表于 2025-3-23 21:47:56
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脖子
发表于 2025-3-23 22:41:22
Virial Theorems,Virial theorems are derived by considering the behavior of all relevant quantities
Supplement
发表于 2025-3-24 03:16:40
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Stagger
发表于 2025-3-24 07:09:23
Time-Dependent Density Functional Theory,Time-dependent density functional theory (TDDFT) has developed rapidly since its beginnings in 1984 .
同位素
发表于 2025-3-24 11:53:36
Relativistic Density Functional Theory,Given the success of nonrelativistic DFT, the question concerning a suitable relativistic extension arises quite naturally.
Mets552
发表于 2025-3-24 16:12:10
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抛射物
发表于 2025-3-24 22:41:18
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motor-unit
发表于 2025-3-25 03:00:19
Datierungsfragen der griechischen Tragödies comprise single atoms, the most elementary building blocks of ordinary matter, all kinds of molecules, ranging from dimers to proteins, as well as mesoscopic systems, for example clusters or quantum dots, and solids, including layered structures, surfaces and quasi-crystals.