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Titlebook: Computational Techniques in Quantum Chemistry and Molecular Physics; Proceedings of the N G. H. F. Diercksen,B. T. Sutcliffe,A. Veillard Co

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书目名称Computational Techniques in Quantum Chemistry and Molecular Physics
副标题Proceedings of the N
编辑G. H. F. Diercksen,B. T. Sutcliffe,A. Veillard
视频video
丛书名称Nato Science Series C:
图书封面Titlebook: Computational Techniques in Quantum Chemistry and Molecular Physics; Proceedings of the N G. H. F. Diercksen,B. T. Sutcliffe,A. Veillard Co
描述This book contains the transcripts of the lectures presented at the NATO Advanced study Institute on "Computational Techniques in Quantum Chemistry and Molecular Physics", held at Ramsau, Germany, 4th - 21st Sept. 1974. Quantum theory was developed in the early decades of this century and was first applied to problems in chemistry and molecular physics as early as 1927. It soon emerged however, that it was impossible to con­ sider any but the simplest systems in any quantita­ tive detail because of the complexity of Schrodinger‘s equation which is the basic equation for chemical and molecular physics applications. This remained the si­ tuation until the development, after 1950, of elec­ tronic digital computers. It then became possible to attempt approximate solutions of Schrodinger‘s equa­ tion for fairly complicated systems, to yield results which were sufficiently accurate to make comparison with experiment meaningful. Starting in the early nineteen sixties in the United States at a few centres with access to good computers an enormous amount of work went into the development and implementation of schemes for approximate solu­ tions of Schrodinger‘s equation, particularly the de
出版日期Conference proceedings 1975
关键词astrophysics; complexity; computer; logic; molecular physics; molecule; quantum chemistry; quantum theory
版次1
doihttps://doi.org/10.1007/978-94-010-1815-9
isbn_softcover978-94-010-1817-3
isbn_ebook978-94-010-1815-9Series ISSN 1389-2185
issn_series 1389-2185
copyrightD. Reidel Publishing Company, Dordrecht 1975
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Molecular Properties,ies as functions which define the kind and magnitude of the various phenomena that actually can be observed under experimental circumstances, using external fields as perturbations. We believe that this approach is both fundamental and easy to understand; for this reason it will be given a rather ge
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An Introduction to Molecular Integral Evaluation,n spatial and n spin coordinates of the electrons. Procedures for integration over the spin variables are not the concern of the present work, and we proceed under the assumption that the spin integrations of the energy expectation value have been completed. We are thus left with the evaluation of t
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Pair Functions and Diagrammatic Perturbation Theory,ir functions. We shall formulate this discussion using the “language” of Many-Body Perturbation Theory (MBPT) with the aid of Feynman diagrams. The reason for such an approach is that, while some of the methods which we shall discuss correspond to variational wavefunctions, the majority must be view
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Molecules in Astrophysics,s gaseous material located between the stars: the interstellar matter (ISM). The principal constituents of interstellar matter are gas and fine dust particles. The qas consists mainly of hydrogen and helium, with an approximate ratio by mass of H: He: (all heavier elements) = 70:28:2. Dust accounts
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1389-2185 emistry and Molecular Physics", held at Ramsau, Germany, 4th - 21st Sept. 1974. Quantum theory was developed in the early decades of this century and was first applied to problems in chemistry and molecular physics as early as 1927. It soon emerged however, that it was impossible to con­ sider any b
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