219338892  

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

Parr, Robert G. ; Yang, Weitao

1. iss. as ... paperback

Englisch

New York, NY [u.a.] : Oxford Univ. Press [u.a.], 1994

IX, 333 S. : graph. Darst.

0-19-509276-7 (pbk.)

0-19-504279-4

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

*Quantenchemie / Dichtefunktional

*Electronic structure ; Density functionals ; Quantum theory ; Quantum chemistry