Molecular Electronic-structure Theory

Molecular Electronic-structure Theory

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An update of a comprehensive text, which covers all the importantaspects of modern molecular electronica€“structure theory providing ina€“depth background material. It derives in detailimportant working equations of computational electronica€“structuretheory that readers are able to use to write a computer program.All of the existing chapters have been thoroughly updated and fournew chapters have been added: Provides a comprehensive, upa€“toa€“date, and technical monographon this subject. Makes extensive use of numerical examples. Methods are supported by actual examples and not merely modelcalculations. Problems and exercises are provided at the end of each chapter, complete with hints and solutions. The new edition will include four new chapters on: Theelectronic Hamiltonian; Timea€“independent response theory;Timea€“dependent response theory a Densitya€“functional theory(DFT)The new edition will include four new chapters on: The electronic Hamiltonian; Time-independent response theory; Time-dependent response theory aamp; Density-functional theory (DFT)

Title:Molecular Electronic-structure Theory
Author:Trygve Helgaker, Poul Jørgensen, Jeppe Olsen
Publisher:Wiley-Blackwell - 2008


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