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Titlebook: Explicitly Correlated Wave Functions in Chemistry and Physics; Theory and Applicati Jacek Rychlewski Book 2003 Springer Science+Business Me

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發(fā)表于 2025-3-21 18:09:28 | 只看該作者 |倒序?yàn)g覽 |閱讀模式
書目名稱Explicitly Correlated Wave Functions in Chemistry and Physics
副標(biāo)題Theory and Applicati
編輯Jacek Rychlewski
視頻videohttp://file.papertrans.cn/320/319364/319364.mp4
叢書名稱Progress in Theoretical Chemistry and Physics
圖書封面Titlebook: Explicitly Correlated Wave Functions in Chemistry and Physics; Theory and Applicati Jacek Rychlewski Book 2003 Springer Science+Business Me
描述.Explicitly Correlated Wave Functions in Chemistry and Physics. is the first book devoted entirely to explicitly correlated wave functions and their theory and applications in chemistry and molecular and atomic physics. Explicitly correlated wave functions are functions that depend explicitly on interelectronic distance. .The book covers a wide range of methods based on explicitly correlated functions written by leaders in the field, including Kutzelnigg, Jeziorski, Szalewicz, Klopper and Noga. The book begins with a chapter on the theory of electron correlation and then the following three chapters describe different types of functions that can be used to solve the electronic Schr?dinger equation for atoms and molecules. The book goes on to discuss the effects that go beyond the Born-Oppenheimer approximation, theory of relativistic effects, solution of the Dirac-Colomb equation, and relativistic correction using ECG functions. The last part of the book reviews applications of EC functions to calculate atomic and molecular properties and to study positronic systems, resonance states of atoms and nuclear dynamics of the hydrogen molecular ion. .
出版日期Book 2003
關(guān)鍵詞atomic physics; cluster; isotope; molecule; perturbation theory
版次1
doihttps://doi.org/10.1007/978-94-017-0313-0
isbn_softcover978-90-481-6448-6
isbn_ebook978-94-017-0313-0Series ISSN 1567-7354 Series E-ISSN 2215-0129
issn_series 1567-7354
copyrightSpringer Science+Business Media Dordrecht 2003
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沙發(fā)
發(fā)表于 2025-3-21 23:07:18 | 只看該作者
Progress in Theoretical Chemistry and Physicshttp://image.papertrans.cn/e/image/319364.jpg
板凳
發(fā)表于 2025-3-22 04:18:02 | 只看該作者
Michael Kleinaltenkamp,Marco Schm?hThe 1/.. singularity in the Hamiltonian describing a system of interacting electrons results in a cusp of the corresponding eigenfunctions. In the vicinity of .. = 0 the non-relativistic wavefunction is linear in .. [1].
地板
發(fā)表于 2025-3-22 06:45:15 | 只看該作者
5#
發(fā)表于 2025-3-22 11:52:17 | 只看該作者
Hylleraas-CI Approach to Diraccoulomb EquationThe 1/.. singularity in the Hamiltonian describing a system of interacting electrons results in a cusp of the corresponding eigenfunctions. In the vicinity of .. = 0 the non-relativistic wavefunction is linear in .. [1].
6#
發(fā)表于 2025-3-22 15:59:40 | 只看該作者
Atomic and Molecular Properties Using Explicitly Correlated FunctionsThis chapter presents selected theoretical and numerical results concerning first- and second-order properties of few-electron systems obtained using explicitly correlated wave functions.
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發(fā)表于 2025-3-23 02:52:03 | 只看該作者
Fragen zum Bilanzrichtlinien-Gesetz,Popular inconsistencies in the concept of electron correlation (in part related to an inappropriate normalization) are clarified. Current claims, e.g. that ‘there is a Fermi correlation between electrons of the same spin, and no correlation between electrons of different spin’, or that the ‘Fermi ho
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發(fā)表于 2025-3-23 07:34:56 | 只看該作者
https://doi.org/10.1007/978-3-322-91705-8ectronic distance, ... Such functions with the correlation term .. have been proposed for the first time in 1929 by Hylleraas to solve the Schr?dinger equation for helium atom [1]. The Hylleraas wave function can be described as composed of three factors: exponential (Slater type), power expansion o
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