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Titlebook: Methods in Computational Chemistry; Stephen Wilson Book 1992 Springer-Verlag US 1992 algorithms.atomic properties.chemistry.computational

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发表于 2025-3-21 16:34:45 | 显示全部楼层 |阅读模式
期刊全称Methods in Computational Chemistry
影响因子2023Stephen Wilson
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图书封面Titlebook: Methods in Computational Chemistry;  Stephen Wilson Book 1992 Springer-Verlag US 1992 algorithms.atomic properties.chemistry.computational
影响因子Providing specialist reviews and analyses of contemporarytheories, algorithms, and techniques, this series aims to facilitatetheeffective exploitation of available computing power. The currentvolume focuses on the theoretical determination of atomic andmolecular properties as related to wave functions, electrondensities, and total energies.
Pindex Book 1992
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发表于 2025-3-21 22:50:00 | 显示全部楼层
Perturbation Theory for Atomic and Molecular Properties,tonian, λ = 1. By making expansion in powers of λ for the exact energy and the exact wave function, and then equating the coefficients for each power of λ, a set of equations can be obtained which are then employed to obtain corrections to the zero-order energy and wave function.
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发表于 2025-3-22 05:09:15 | 显示全部楼层
ploitation of available computing power. The currentvolume focuses on the theoretical determination of atomic andmolecular properties as related to wave functions, electrondensities, and total energies.978-1-4899-1639-6
发表于 2025-3-22 10:00:47 | 显示全部楼层
,Fühlen — Die Ur-Berührung mit dem Leben,re optically active—they can, for example, rotate the plane of polarization of light. Yet the fundamental laws of physics, as they were known until 1956, did not distinguish right from left and could never tell a physical event from its mirror image.
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发表于 2025-3-22 19:53:39 | 显示全部楼层
,Der emotional belastete Führende, The availability of powerful computational equipment has stimulated the design of new, more sophisticated, and computationally demanding approaches, and it has permitted verification of the reliability of the existing methods by applying them both to larger systems and to more complicated types of states (e.g., quasi-degenerate or excited ones).
发表于 2025-3-23 00:17:35 | 显示全部楼层
Die Architektur der menschlichen Seele,The subject of molecular properties embraces all measurable quantities associated with a single isolated molecule, a small assemblage of molecules, or a bulk assembly such as a fluid or a solid. For the purposes of discussion, three overlapping types of property are identified as follows:
发表于 2025-3-23 03:02:06 | 显示全部楼层
Theory and Computation of Molecular Properties,The subject of molecular properties embraces all measurable quantities associated with a single isolated molecule, a small assemblage of molecules, or a bulk assembly such as a fluid or a solid. For the purposes of discussion, three overlapping types of property are identified as follows:
发表于 2025-3-23 06:49:16 | 显示全部楼层
,Der emotional belastete Führende,systems. The difficulty has been caused by the extremely complex structure of the equations that accurately describe atoms and molecules including more than one or two electrons. The present stage of methodological development is to a large extent the result of the revolution in computer technology.
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