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Titlebook: Many-Body Methods in Quantum Chemistry; Proceedings of the S U. Kaldor Conference proceedings 1989 Springer-Verlag Berlin Heidelberg 1989 C

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書(shū)目名稱Many-Body Methods in Quantum Chemistry
副標(biāo)題Proceedings of the S
編輯U. Kaldor
視頻videohttp://file.papertrans.cn/624/623683/623683.mp4
叢書(shū)名稱Lecture Notes in Chemistry
圖書(shū)封面Titlebook: Many-Body Methods in Quantum Chemistry; Proceedings of the S U. Kaldor Conference proceedings 1989 Springer-Verlag Berlin Heidelberg 1989 C
描述The present volume contains the text of the invited lectures presented at the Symposium on Many- Body Methods in Quantum Chemistry, held on the campus of Tel Aviv University in August 1988. The Symposium was a satellite meeting of the Sixth International Congress on Quantum Chemistry held in Jerusalem. The development and application of many-body methods in Quantum chemistry have been on the rise for a number of years. This is therefore a good time for an interim report on the state of the field. It is hoped that such a report is hereby provided, though it may not be complete. The Symposium was held under the auspices of Tel Aviv University, Raymond and Beverly Sackler Faculty of Exact Sciences, School of Chemistry. Other sponsors were the Israeli Academy of Sciences and Humanities, and the Israeli Ministry of Science and Development. Many thanks go to all of them. Finally, I would like to thank all the speakers and participants for making the meeting the enjoyable and (I hope) profitable experience it was. Tel Aviv, Israel Uzi Kaldor TESTS AND APPLICATIONS OF COMPLETE MODEL SPACE QUASIDEGENERATE MANY-BODY PERTURBATION THEORY FOR MOLECULES Karl F. Freed The James Franck Institute a
出版日期Conference proceedings 1989
關(guān)鍵詞Configuration Interaction; chemistry; cluster; many-body theory; molecule; perturbation theory
版次1
doihttps://doi.org/10.1007/978-3-642-93424-7
isbn_softcover978-3-540-51027-7
isbn_ebook978-3-642-93424-7Series ISSN 0342-4901 Series E-ISSN 2192-6603
issn_series 0342-4901
copyrightSpringer-Verlag Berlin Heidelberg 1989
The information of publication is updating

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Multi-Reference-State Rayleigh-Schr?dinger Perturbation Theorysis is towards flexibility and expansibility of the reference space in order to improve correlationenergy calculations. The problem of intruder states is averted on moving to a non-diagrammatic representation of the perturbation series. This approach is particularly suitable for the evaluation of po
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Some Consideration of Alternative Ans?tz in Coupled-Cluster Theory perturbation truncation followed by a series of order dependent cancellations, some new types of size-extensive approximations are considered. One principal result is that a new type of factorization for all effects of T. through fifth-order in the correlation correction may be obtained by only an
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Spin-Adapted Multi-Reference Coupled Cluster Formalism Including Non-Linear Terms and its Applicationg closed-shell-type configurations [B. Jeziorski and J. Paldus, J. Chem. Phys. ., 5673 (1988)] has been extended by including quadratic terms in both the direct and the coupling part of the MRCC equations. The formalism has been applied to the H. model system studied earlier by Jankowski and Paldus
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Quadratic Configuration Interaction Method: Recent Applications and Comparison with Other Correlatiooupled cluster methods. The nature of the configuration expansion coefficients which result from a solution of the QCI equations is discussed. Different correlation methods are compared by performing a perturbation expansion of the correlation energy up to fifth order. Finally, the range of applicab
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