Integral Formulation of Density-Functional Theory
Publication
, Journal Article
Yang, W
Published in: Advances in Quantum Chemistry
January 1, 1990
The Hohenberg-Kohn-Sham density-functional theory is reformulated in terms of explicit relations between the electron density and the effective potential through the use of Feynman path integrals. In this formulation electron density is the only basic variable as in the Thomas-Fermi theory and orbitals are not needed. Possible applications to calculations in large molecules and the present limitations of the method are discussed. © 1990, Elsevier Inc. All rights reserved.
Duke Scholars
Published In
Advances in Quantum Chemistry
DOI
ISSN
0065-3276
Publication Date
January 1, 1990
Volume
21
Issue
C
Start / End Page
293 / 302
Related Subject Headings
- Chemical Physics
- 3407 Theoretical and computational chemistry
- 3406 Physical chemistry
- 0307 Theoretical and Computational Chemistry
Citation
APA
Chicago
ICMJE
MLA
NLM
Yang, W. (1990). Integral Formulation of Density-Functional Theory. Advances in Quantum Chemistry, 21(C), 293–302. https://doi.org/10.1016/S0065-3276(08)60601-2
Yang, W. “Integral Formulation of Density-Functional Theory.” Advances in Quantum Chemistry 21, no. C (January 1, 1990): 293–302. https://doi.org/10.1016/S0065-3276(08)60601-2.
Yang W. Integral Formulation of Density-Functional Theory. Advances in Quantum Chemistry. 1990 Jan 1;21(C):293–302.
Yang, W. “Integral Formulation of Density-Functional Theory.” Advances in Quantum Chemistry, vol. 21, no. C, Jan. 1990, pp. 293–302. Scopus, doi:10.1016/S0065-3276(08)60601-2.
Yang W. Integral Formulation of Density-Functional Theory. Advances in Quantum Chemistry. 1990 Jan 1;21(C):293–302.
Published In
Advances in Quantum Chemistry
DOI
ISSN
0065-3276
Publication Date
January 1, 1990
Volume
21
Issue
C
Start / End Page
293 / 302
Related Subject Headings
- Chemical Physics
- 3407 Theoretical and computational chemistry
- 3406 Physical chemistry
- 0307 Theoretical and Computational Chemistry