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Titlebook: Relativistic and Electron Correlation Effects in Molecules and Solids; G. L. Malli Book 1994 Springer Science+Business Media New York 1994

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书目名称Relativistic and Electron Correlation Effects in Molecules and Solids
编辑G. L. Malli
视频video
丛书名称NATO Science Series B:
图书封面Titlebook: Relativistic and Electron Correlation Effects in Molecules and Solids;  G. L. Malli Book 1994 Springer Science+Business Media New York 1994
描述The NATO Advanced Study Institute (ASI) on "R@lativistic and Electron Correlation Effects in Molecules and Solids", co-sponsored by Simon Fraser University (SFU) and the Natural Sciences and Engineering Research Council of Canada (NSERC) was held Aug 10- 21, 1992 at the University of British Columbia (UBC), Vancouver, Canada. A total of 90 lecturers and students with backgrounds in Chemistry, Physics, Mathematics and various interdisciplinary subjects attended the ASI. In my proposal submitted to NATO for financial support for this ASI, I pointed out that a NATO ASI on the effects of relativity in many-electron systems was held ten years ago, [See G.L. Malli, (ed) Relativistic Effects in Atoms, Molecules and Solids, Plenum Press, Vol B87, New York, 1983]. Moreover, at a NATO Advanced Research Workshop (ARW) on advanced methods for molecular electronic structure "an assessment of state-of­ the-art of Electron Correlation ... " was carried out [see C.E. Dykstra, (ed), Advanced Theories and Computational Approaches to the Electronic Structure of Molecules, D. Reidel Publishin~ Company, Vol C133, Dordrecht, The Netherlands 1984]. However, during the last five years, it has become clear
出版日期Book 1994
关键词catalysis; cluster; metals; molecule; structure
版次1
doihttps://doi.org/10.1007/978-1-4899-1340-1
isbn_softcover978-1-4899-1342-5
isbn_ebook978-1-4899-1340-1Series ISSN 0258-1221
issn_series 0258-1221
copyrightSpringer Science+Business Media New York 1994
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Relativistic and Electron Correlation Effects in Molecules of Heavy Elements,m Dirac-Fock-Coulomb (DFC) and Dirac-Fock-Breit (DFB) calculations for heavy atoms (assuming finite nucleus) using spherical Gaussian basis sets, which were introduced more than a decade ago. in relativistic quantum chemistry.
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