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Titlebook: Methods in Computational Molecular Physics; Stephen Wilson,Geerd H. F. Diercksen Book 1992 Springer Science+Business Media New York 1992 P

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書目名稱Methods in Computational Molecular Physics
編輯Stephen Wilson,Geerd H. F. Diercksen
視頻videohttp://file.papertrans.cn/633/632290/632290.mp4
叢書名稱NATO Science Series B:
圖書封面Titlebook: Methods in Computational Molecular Physics;  Stephen Wilson,Geerd H. F. Diercksen Book 1992 Springer Science+Business Media New York 1992 P
描述This volume records the lectures given at a NATO Advanced Study Institute on Methods in Computational Molecular Physics held in Bad Windsheim, Germany, from 22nd July until 2nd. August, 1991. This NATO Advanced Study Institute sought to bridge the quite considerable gap which exist between the presentation of molecular electronic structure theory found in contemporary monographs such as, for example, McWeeny‘s Methods 0/ Molecular Quantum Mechanics (Academic Press, London, 1989) or Wilson‘s Electron correlation in moleeules (Clarendon Press, Oxford, 1984) and the realization of the sophisticated computational algorithms required for their practical application. It sought to underline the relation between the electronic structure problem and the study of nuc1ear motion. Software for performing molecular electronic structure calculations is now being applied in an increasingly wide range of fields in both the academic and the commercial sectors. Numerous applications are reported in areas as diverse as catalysis and interstellar chernistry, drug design and environmental studies, molecular biology and solid state physics. The range of applications continues to increase as scientists r
出版日期Book 1992
關(guān)鍵詞Potential; algorithms; cluster; mechanics; scattering; scattering theory
版次1
doihttps://doi.org/10.1007/978-1-4615-7419-4
isbn_softcover978-1-4615-7421-7
isbn_ebook978-1-4615-7419-4Series ISSN 0258-1221
issn_series 0258-1221
copyrightSpringer Science+Business Media New York 1992
The information of publication is updating

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,The Perturbation Theory of Electron Correlation. I. Basic Rayleigh-Schr?dinger Perturbation Theory,f multiprocessor supercomputers, is described. Throughout this work, references have been chosen to amplify the text and to indicate key papers and review articles. No attempt has been made to provide a comprehensive catalogue of the large and expanding literature of the perturbation approach to the problem of electron correlation.
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Relativistic Electronic Structure Theory,rder methods to the calculation of radiative corrections. Developments in the electronic structure of molecules lag somewhat behind those for atoms, but there are signs that we shall soon see rapid improvements.
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Book 1992, from 22nd July until 2nd. August, 1991. This NATO Advanced Study Institute sought to bridge the quite considerable gap which exist between the presentation of molecular electronic structure theory found in contemporary monographs such as, for example, McWeeny‘s Methods 0/ Molecular Quantum Mechani
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Molecular Properties,t determine chemical reactivity and intermolecular forces — including of course the possible presence of an electromagnetic field and the phenomena of emission and absorption of radiation. In principle, once we have the free-molecule wavefunctions, it is possible to embark on a discussion of all such phenomena.
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