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Titlebook: Quantum Systems in Chemistry and Physics. Trends in Methods and Applications; Roy McWeeny,Jean Maruani,Stephen Wilson Book 1997 Springer S

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书目名称Quantum Systems in Chemistry and Physics. Trends in Methods and Applications
编辑Roy McWeeny,Jean Maruani,Stephen Wilson
视频video
丛书名称Topics in Molecular Organization and Engineering
图书封面Titlebook: Quantum Systems in Chemistry and Physics. Trends in Methods and Applications;  Roy McWeeny,Jean Maruani,Stephen Wilson Book 1997 Springer S
描述.Quantum Systems in Chemistry and Physics. contains arefereed selection of the papers presented at the first EuropeanWorkshop on this subject, held at San Miniato, near Pisa, Italy, inApril 1996. .The Workshop brought together leading experts in theoretical chemistryand molecular physics with an interest in the quantum mechanicalmany-body problem. This volume provides an insight into the latestresearch in this increasingly important field. Throughout theWorkshop, the emphasis was on innovative theory and conceptualdevelopments rather than on computational implementation. The variouscontributions presented reflect this emphasis and embrace topics suchas density matrices and density functional theory, relativisticformulations, electron correlation, valence theory, nuclear motion,response theory, condensed matter, and chemical reactions. ..Audience:. The volume will be of interest to those working in themolecular sciences and to theoretical chemists and molecularphysicists in particular.
出版日期Book 1997
关键词adsorption; chemical reaction; chemical structure; chemistry; condensed matter; electron; hydrogen; scatter
版次1
doihttps://doi.org/10.1007/978-94-011-4894-8
isbn_softcover978-94-010-6052-3
isbn_ebook978-94-011-4894-8Series ISSN 0927-0817
issn_series 0927-0817
copyrightSpringer Science+Business Media Dordrecht 1997
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https://doi.org/10.1007/978-94-011-4894-8adsorption; chemical reaction; chemical structure; chemistry; condensed matter; electron; hydrogen; scatter
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The Relativistic Quantum Defect Orbital Method and some of its ApplicationsJustification of a simple and reliable relativistic procedure for the prediction of a large body of transition probability data is made. The main features of the Relativistic Quantum Defect Orbital (RQDO) formalism are described, and several examples of the data yielded by this method are presented in tabular and graph forms.
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Fragmentation of Ar3 +: The Role of Rotational and Vibrational Predissociation Dynamicsomputational methods have been employed and the effects of the total angular momentum of the system have been evaluated. It is found that the observed metastability can be explained with the lengthening of the lifetimes produced by the centrifugal barrier.
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