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Titlebook: Excited States in Quantum Chemistry; Theoretical and Expe Cleanthes A. Nicolaides,Donald R. Beck Book 1979 D. Reidel Publishing Company, Do

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61#
發(fā)表于 2025-4-1 03:17:40 | 只看該作者
Many Body Perturbation Methods for the Calculation of Excited States,for calculations on excited states of molecules. They represent neither a review nor an original article. Consequently the bibliography is limited to a few essential references. Limitations of space permit only a brief discussion of the main ideas. We shall refer the reader to the literature for num
62#
發(fā)表于 2025-4-1 09:50:05 | 只看該作者
The Calculation of Atomic and Molecular Electron Binding Energies,ctrometry. Much early work [1] on ionization potentials, photoionization cross sections, chemical shifts etc. relied on semiempirical models. It was also recognized early [2] that ground state Hartree-Fock . orbital energies (according to Koopmans’ theorem) can with some success be used as measures
63#
發(fā)表于 2025-4-1 11:32:58 | 只看該作者
Theory of One Electron Binding Energies Including Correlation, Relativistic and Radiative Effects: es this a timely subject to review. The wide range of atoms treated and the accuracies required place stringent demands on any comprehensive theory, forcing it to consider effects of relaxation, relativity, radiation, correlation, nuclear size and the bulk. To date, there is no theory capable of tre
64#
發(fā)表于 2025-4-1 17:35:40 | 只看該作者
65#
發(fā)表于 2025-4-1 22:33:13 | 只看該作者
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