A variational principle for the electron density using the exchange hole & its implications for N-representability
Author:
Funder
NSERC
Canada Research Chairs
Sharcnet
CONACYT
ITESM
DGRI-SEP
Publisher
Elsevier BV
Subject
General Physics and Astronomy
Reference61 articles.
1. Insights into Current Limitations of Density Functional Theory
2. Many-electron self-interaction error in approximate density functionals
3. Density functionals that are one- and two- are not always many-electron self-interaction-free, as shown for H2+, He2+, LiH+, and Ne2+
4. Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy
5. Degenerate Ground States and a Fractional Number of Electrons in Density and Reduced Density Matrix Functional Theory
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1. A Gradient Corrected Two-Point Weighted Density Approximation for Exchange Energies;Many-body Approaches at Different Scales;2018
2. Kinetic Energy Density Functionals from Models for the One-Electron Reduced Density Matrix;Many-body Approaches at Different Scales;2018
3. A Diagonally Updated Limited-Memory Quasi-Newton Method for the Weighted Density Approximation;Computation;2017-09-26
4. Two-point weighted density approximations for the kinetic energy density functional;Theoretical Chemistry Accounts;2017-09
5. Symmetric two-point weighted density approximation for exchange energies;Physical Review A;2012-04-30
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