TERRA
发表于 2025-3-25 03:44:28
The Evaluation of the Wave Function Response Contributions to the Geometrical Derivatives of the Elave function parameters, the CSF mixing coefficient changes and orbital expansion coefficient changes, to geometrical displacements are analyzed in detail. Various strategies are discussed for the computation of these terms.
hazard
发表于 2025-3-25 10:46:30
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教义
发表于 2025-3-25 11:58:22
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LARK
发表于 2025-3-25 16:15:03
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的’
发表于 2025-3-25 21:18:03
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packet
发表于 2025-3-26 00:34:02
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GIDDY
发表于 2025-3-26 04:50:13
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Recess
发表于 2025-3-26 10:06:02
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BUST
发表于 2025-3-26 12:54:06
https://doi.org/10.1007/978-3-319-54861-6variational wave functions (SCF, MCSCF and CI) and perturbation-dependent basis sets are derived and their implementation is discussed. The use of direct methods to simplify the calculation of higher-order properties is described.
cyanosis
发表于 2025-3-26 17:31:34
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