Kohn-Sham potentials in exact density-functional theory at noninteger electron numbers
Published 2014 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Kohn-Sham potentials in exact density-functional theory at noninteger electron numbers
Authors
Keywords
-
Journal
PHYSICAL REVIEW A
Volume 90, Issue 5, Pages -
Publisher
American Physical Society (APS)
Online
2014-11-11
DOI
10.1103/physreva.90.050502
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Kinetic and electron-electron energies for convex sums of ground state densities with degeneracies and fractional electron number
- (2014) Mel Levy et al. JOURNAL OF CHEMICAL PHYSICS
- Frozen density embedding with non-integer subsystems’ particle numbers
- (2014) Eduardo Fabiano et al. JOURNAL OF CHEMICAL PHYSICS
- The flexible nature of exchange, correlation, and Hartree physics: Resolving “delocalization” errors in a “correlation free” density functional
- (2013) Tim Gould et al. JOURNAL OF CHEMICAL PHYSICS
- Optimized unrestricted Kohn–Sham potentials from ab initio spin densities
- (2013) Katharina Boguslawski et al. JOURNAL OF CHEMICAL PHYSICS
- Piecewise Linearity of Approximate Density Functionals Revisited: Implications for Frontier Orbital Energies
- (2013) Eli Kraisler et al. PHYSICAL REVIEW LETTERS
- Fragment occupations in partition density functional theory
- (2012) Rougang Tang et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Challenges for Density Functional Theory
- (2011) Aron J. Cohen et al. CHEMICAL REVIEWS
- Communication: A density functional with accurate fractional-charge and fractional-spin behaviour for s-electrons
- (2011) Erin R. Johnson et al. JOURNAL OF CHEMICAL PHYSICS
- Partition density-functional theory
- (2010) Peter Elliott et al. PHYSICAL REVIEW A
- Exact exchange-correlation potentials in spin-density functional theory and their discontinuities at unit electron number
- (2009) John P. Perdew et al. CANADIAN JOURNAL OF CHEMISTRY
- Study of the discontinuity of the exchange-correlation potential in an exactly soluble case
- (2009) Paola Gori-Giorgi et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Discontinuous Nature of the Exchange-Correlation Functional in Strongly Correlated Systems
- (2009) Paula Mori-Sánchez et al. PHYSICAL REVIEW LETTERS
- Is size-consistency possible with density functional approximations?
- (2008) Andreas Savin CHEMICAL PHYSICS
- Full optimization of Jastrow–Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules
- (2008) Julien Toulouse et al. JOURNAL OF CHEMICAL PHYSICS
- Discontinuity of the exchange-correlation potential: Support for assumptions used to find it
- (2008) Espen Sagvolden et al. PHYSICAL REVIEW A
- Localization and Delocalization Errors in Density Functional Theory and Implications for Band-Gap Prediction
- (2008) Paula Mori-Sánchez et al. PHYSICAL REVIEW LETTERS
- Insights into Current Limitations of Density Functional Theory
- (2008) A. J. Cohen et al. SCIENCE
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreFind the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
Search