foresight 发表于 2025-3-21 16:12:21

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门窗的侧柱 发表于 2025-3-21 22:50:16

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精美食品 发表于 2025-3-22 03:34:11

Density Functional Theory and Local Potential Approximations from Momentum Space Considerationsange potential in the Hartree-Fock equations or from the exchange-correlation term in the density functional expression for the energy. These correspond respectively to the Slater and Kohn-Sham-Gaspar approaches to the derivation of the .. exchange potential, i.e. .=1 and .=2/3 respectively in the x. exchange potential.

Nonporous 发表于 2025-3-22 08:03:22

The Mechanics of and an Equation for the Electronic Charge Densityector differential equation for the charge density. Taking the divergence of both sides of this equation yields a fourth-order partial differential equation determining . in terms of the external potential.

施加 发表于 2025-3-22 12:40:52

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认为 发表于 2025-3-22 13:59:18

The Constrained Search Approach, Mappings to External Potentials, and Virial-Like Theorems for Electe information embedded within its ground-state wave-function. Specifically, as proved by Hohenberg and Kohn, a ground-state electron density contains sufficient information to determine the more complicated ground-state wavefunctions..

异端邪说下 发表于 2025-3-22 20:31:17

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鄙视 发表于 2025-3-23 00:55:27

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Surgeon 发表于 2025-3-23 04:14:13

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fiscal 发表于 2025-3-23 06:37:33

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查看完整版本: Titlebook: Local Density Approximations in Quantum Chemistry and Solid State Physics; Jens Peder Dahl,John Avery Book 1984 Springer Science+Business