Maximizer
发表于 2025-3-23 12:52:56
https://doi.org/10.1007/978-1-4899-1983-0chemistry; computational chemistry; electrons; molecule; theoretical chemistry
闲聊
发表于 2025-3-23 17:52:33
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暗语
发表于 2025-3-23 19:20:36
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入会
发表于 2025-3-23 22:55:43
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choroid
发表于 2025-3-24 04:29:29
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LINES
发表于 2025-3-24 06:44:40
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microscopic
发表于 2025-3-24 13:52:31
Four-Index Transformations, usually either exponential-type functions or Gaussian-type functions, to integrals over the orbitals resulting from the independent electron model calculation, usually a self-consistent-field calculation.
ITCH
发表于 2025-3-24 14:56:08
Electron Correlation in Molecules, included in the calculation. This holds in spite of the fact that the best independent electron model, the Hartree—Fock (HF) method, accounts for about 99.5% of the total nonrelativistic energy of a molecule since the remaining energy, the correlation energy, is comparable in magnitude to energies of chemical bonds.
未开化
发表于 2025-3-24 19:49:45
,Green’s Function Monte Carlo Methods,be primarily concerned with the solution of the molecular electronic Schrödinger equation, for which the nature of the Coulomb potential and the requirement of fermi antisymmetry give rise to particular difficulties for the GFMC method.
手段
发表于 2025-3-25 00:32:25
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