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Titlebook: Quantal Density Functional Theory; Viraht Sahni Book 20041st edition Springer-Verlag Berlin Heidelberg 2004 Density functional theory.Elec

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書目名稱Quantal Density Functional Theory
編輯Viraht Sahni
視頻videohttp://file.papertrans.cn/781/780650/780650.mp4
概述Deals with a hot topic in theoretical physics.Most advanced one on the Nobel Prize in Chemistry of 1999.Includes supplementary material:
圖書封面Titlebook: Quantal Density Functional Theory;  Viraht Sahni Book 20041st edition Springer-Verlag Berlin Heidelberg 2004 Density functional theory.Elec
描述Quantal density functional theory (Q-DFT) is a new local effective potential energy theory of the electronic structure of matter. It is a description in terms of classical fields that pervade all space, and their quantal sources. The fields, which are explicitly defined, are separately representative of the many-body electron correlations present in such a description, namely, those due to the Pauli exclusion principle, Coulomb repulsion, correlation-kinetic, and correlation-current-density effects. The book further describes Schr?dinger theory from the new perspective of fields and quantal sources. It also explains the physics underlying the functionals and functional derivatives of traditional DFT.
出版日期Book 20041st edition
關(guān)鍵詞Density functional theory; Electron correlations; Many body theory; Potential; quantum mechanics
版次1
doihttps://doi.org/10.1007/978-3-662-09624-6
isbn_softcover978-3-642-07419-6
isbn_ebook978-3-662-09624-6
copyrightSpringer-Verlag Berlin Heidelberg 2004
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,Schr?dinger Theory from the Perspective of ‘Classical’ Fields Derived from Quantal Sources,to Maxwell’s equations are inherent to an electromagnetic system), with each field, or sum of fields, contributing to a specific energy component. This chapter is a description of Schr?dinger theory from this perspective of fields and quantal sources. The equivalence of Schr?dinger theory as describ
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Quantal Density Functional Theory,s defined explicitly in terms of the various electron correlations that must be accounted for by the S system. It is also possible to construct in the framework of Q-DFT, S systems such that the density and energy of both Hartree and Hartree-Fock theories is obtained. In a following chapter we will
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Epilogue,ns are those due to the Pauli exclusion principle, Coulomb repulsion, Correlation-Kinetic, and Correlation-Current-Density effects. The framework of Q-DFT is general and the . for both ground and excited states. Furthermore, as is the case in Schr?dinger theory, the time-independent version is a spe
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