无所不知
发表于 2025-3-26 22:18:07
pproximate solutions of Schrödinger‘s equation are sought "from the beginning," i. e. , without recourse to experimental data. From a more pragmatic viewpoint, the distin guishing feature of ab initio theory is usually the fact that no approximations are involved in the evaluation of the required m
Constrain
发表于 2025-3-27 02:07:40
Book 1977 solutions of Schrödinger‘s equation are sought "from the beginning," i. e. , without recourse to experimental data. From a more pragmatic viewpoint, the distin guishing feature of ab initio theory is usually the fact that no approximations are involved in the evaluation of the required molecular i
fiscal
发表于 2025-3-27 06:45:53
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动机
发表于 2025-3-27 10:26:26
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recession
发表于 2025-3-27 15:08:12
Pair Correlation Theories,ell-known characterization of an atomic state by its configuration,. e.g., for the carbon ground state 1s.2s.2p., without specifying the m. and m. values. (For a general discussion of closed- and open-shell states in the framework of rigorous quantum mechanics, see Refs. 2 and 3.)
agitate
发表于 2025-3-27 18:19:56
The Multiconfiguration Self-Consistent Field Method,“suffiiciently” accurate for most of the interesting properties of a chemical system. Second, the successful implementation of the single configuration SCF method was diffiicult and the implementation of the more complex MCSCF framework proved to be significantly more arduous.
AMPLE
发表于 2025-3-27 23:05:26
The Equations of Motion Method: An Approach to the Dynamical Properties of Atoms and Molecules,on energies and transitions densities, respectively. One could also attempt to solve the time-dependent Schrödinger equation directly, e.g., in the time-dependent Hartree—Fock approximation. The approach to these dynamical properties of atoms and molecules which we will discuss is based on the equat
通便
发表于 2025-3-28 03:23:28
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油膏
发表于 2025-3-28 09:04:07
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Lumbar-Stenosis
发表于 2025-3-28 11:11:03
ution is tightly bound to the base institution, sharing signatures and languages. Also, because the models are obtained from the base institution’s models, the satisfaction relation is defined in terms of the base satisfaction relation..In this paper it is shown that the construction of these instit