Density Functional Theory of Atoms and Molecules View Full Text


Ontology type: schema:Chapter     


Chapter Info

DATE

1980

AUTHORS

Robert G. Parr

ABSTRACT

Current studies in density functional theory and density matrix functional theory are reviewed, with special attention to the possible applications within chemistry. Topics discussed include the concept of electronegativity, the concept of an atom in a molecule, calculation of electronegativities from the Xα method, the concept of pressure, Gibbs-Duhem equation, Maxwell relations, stability conditions, and local density functional theory. More... »

PAGES

5-15

Book

TITLE

Horizons of Quantum Chemistry

ISBN

978-94-009-9029-6
978-94-009-9027-2

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/978-94-009-9027-2_2

DOI

http://dx.doi.org/10.1007/978-94-009-9027-2_2

DIMENSIONS

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