Mundane
发表于 2025-3-23 10:56:44
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voluble
发表于 2025-3-23 14:53:55
Heribert Meffert,Paul-Josef Pattrately the electron correlation effects can be accounted for. The correlation contribution usually constitutes only about 1% of the total electronic energy. Nevertheless, it plays a key role in our understanding of many phenomena of chemical interest, particularly those depending on energy differenc
refine
发表于 2025-3-23 22:02:18
Neue Einkaufszentren im Ruhrgebiet using EC wave functions. Energies calculated from the electronic Schrödinger equation can then be used as the potential for solving the rotation-vibration problem of a molecule. This procedure (the Born-Oppenheimer, BO, approximation) neglects the coupling between the nuclear and electronic movemen
Mutter
发表于 2025-3-24 01:28:30
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自由职业者
发表于 2025-3-24 04:31:05
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我说不重要
发表于 2025-3-24 08:38:08
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seroma
发表于 2025-3-24 12:25:36
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浅滩
发表于 2025-3-24 17:38:34
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不妥协
发表于 2025-3-24 20:28:32
Theory of Electron Correlationted. Excitation operators and .-particle density matrices play a central role. An important aspect of Fock-space theory is . of operators, which is closely related to . of properties. It is preferable to have a theory entirely in terms of additively separable quantities, such as e.g. the . of couple
Irremediable
发表于 2025-3-25 01:14:42
Explicitly Correlated Functions in Variational Calculationsns are able to achieve the spectroscopic accuracy in atomic and molecular energy calculations (errors of the order of one .hartree). Several methods using different expressions of .. dependence have been developed. They can be divided into two groups depending on the form of the correlation factor u