Fissure 发表于 2025-3-25 04:24:46
Theoretical Chemistry and Computational Modellinghttp://image.papertrans.cn/c/image/224401.jpg变白 发表于 2025-3-25 10:24:48
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Ab initio Electronic Structure for Few-Body Systems,t particles wavefunctions. Accordingly, we describe the variational principle, the Hartree–Fock (HF) and self-consistent field (SCF) molecular orbital models. An overview of the use of post-HF configuration interaction (CI), multiconfiguration (MC) SCF, perturbation methods and density functional theory (DFT) is also given.ascetic 发表于 2025-3-25 21:27:12
From the Phenomenology of Chemical Reactions to the Study of Two-Body Collisions,ng their time evolution. From the analysis of the weakness of the transition state (TS) model approach (that is, phenomenologically valid but useless for predicting), the rate of chemical processes is rationalized in terms of collisions of two structureless bodies using classical mechanics. In thisProcesses 发表于 2025-3-26 02:11:19
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