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Titlebook: Intermolecular Forces and Their Evaluation by Perturbation Theory; Paolo Arrighini Textbook 1981 Springer-Verlag Berlin Heidelberg 1981 Ch

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书目名称Intermolecular Forces and Their Evaluation by Perturbation Theory
编辑Paolo Arrighini
视频video
丛书名称Lecture Notes in Chemistry
图书封面Titlebook: Intermolecular Forces and Their Evaluation by Perturbation Theory;  Paolo Arrighini Textbook 1981 Springer-Verlag Berlin Heidelberg 1981 Ch
描述The aim of these notes is to offer a modern picture of the pertur­ bative approach to the calculation of intermolecular forces. The point of view taken is that a perturbative series truncated at a low order can provide a valuable way for ~valuating interaction energies, especial­ ly if one limits oneself to the case of intermediate- and long-range distances between the interacting partners. Although the situation corresponding to short distances is essen­ tially left out from our presentation, the problems which are within the range of the theory form a vast and important class: a large var­ iety of phenomena of matter, in fact, depends on the existence of in­ teractions among atoms or molecules, which over a substantial range of distances should be classified as weak in comparison to the interactions occurring inside atoms or molecules. We are aware of the omission of some topics, which in principle could have been included in our review. For instance, a very scarce at­ tention has been paid to the analysis of problems involving interacting partners in degenerate states, which is of particular relevance in the case of interactions between excited atoms (only a rather quick presen­
出版日期Textbook 1981
关键词Chemische Bindungen; Molekularkraft; Perturbation; Quantenmechanik; Strukturchemie; Störung (Quantentheor
版次1
doihttps://doi.org/10.1007/978-3-642-93182-6
isbn_softcover978-3-540-10866-5
isbn_ebook978-3-642-93182-6Series ISSN 0342-4901 Series E-ISSN 2192-6603
issn_series 0342-4901
copyrightSpringer-Verlag Berlin Heidelberg 1981
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Symmetry: An Excursion through Its Formal Apparatus,Symmetry and invariance properties permeate quantum mechanics in a fundamental way. The relevant symmetry, that of the Hamiltonian operator Ĥ, is to be traced back, as well known, to the existence of one or more operators commuting with Ĥ itself.
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Symmetry-Adapted Perturbation Theories at Low Orders: From H 2 + to the General Case,In the previous chapter we have been able to conclude that a perturbation procedure founded on the “polarization approximation” is an inadequate tool for the evaluation of intermolecular interaction energies, its utility being possibly confined to “monomer” separations corresponding to very weakly interacting subsystems (long-range interactions).
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The Calculation of the 1-st Order Interaction Energy,In order to pave the way for further developments, we begin this section by writing down an equivalent expression for the Coulombic portion E. of the 1-st order perturbation energy, eq. (V.3.8), which is of value for both practical and conceptual reasons.
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Epilogue,In the last two chapters the reader has been brought into contact with various methods by which the calculation of the 1-st and 2-nd order contributions to the interaction energy between two atoms or molecules has most frequently been carried out.
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nstream media. The film festivals discussed in this book also help build a sense of community locally, as well as promote solidarity with people involved in struggles for social justice and ecological integrity around the world. Documentaries by independent filmmakers reveal stories ignored by mass
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