Title Density-functional theory of atoms and molecules / Robert G. Parr and Weitao Yang

Published New York : Oxford University Press ; Oxford [England] : Clarendon Press, 1989

Copies

Location	Call no.	Vol.	Availability
W'PONDS	530.41 Par/Dft		AVAILABLE

Description x, 333 pages : illustrations ; 24 cm Series International series of monographs on chemistry ; 16 International series of monographs on chemical engineering ; 16 Contents Machine derived contents note: 1. Elementary Wave Mechanics -- 2. Density Matrices -- 3. Density-Functional Theory -- 4. The Chemical Potential -- 5. Chemical Potential Derivatives -- 6. Thomas-Fermi and Related Models -- 7. The Kohn-Sham Method: Basic Principles -- 8. The Kohn-Sham Method: Elaboration -- 9. Extensions -- 10. Aspects of Atoms and Molecules -- 11. Miscellany Analysis Chemistry Quantum theory Notes Includes indexes Bibliography Bibliography: pages 285-317 Subject Density functionals. Electronic structure. Quantum chemistry. Quantum theory. Density functionals. Electronic structure. Quantum chemistry. Quantum theory. Author Yang, Weitao. LC no. 88025157 ISBN 0195042794 (alk. paper)

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