The subject of this study is the exchange-correlation-energy functional of reduced density-matrix functional theory. Approximations of this functional are tested by applying them to the homogeneous electron gas. We find that two approximations recently proposed by Gritsenko et al., [J. Chem. Phys. 122, 204102 (2005)] yield considerably better correlation energies and momentum distributions than previously known functionals. We introduce modifications to these functionals, which, by construction, reproduce the exact correlation energy of the homogeneous electron gas
URL:http://link.aps.org/doi/10.1103/PhysRevLett.103.166402 DOI:10.1103/PhysRevLett.103.166402We pre...
Extending the Hedin-Lundqvist approximation, originally developed for the three-dimensional electron...
http://arxiv.org/PS_cache/arxiv/pdf/0812/0812.0742v1.pdfThe exchange-correlation energy in Kohn-Sham...
The subject of this study is the exchange-correlation-energy functional of reduced density-matrix fu...
An approximation for the exchange-correlation energy of reduced-density-matrix-functional theory was...
An exchange-correlation energy functional involving fractional power of the one-body reduced density...
Physically valid and numerically efficient approximations for the exchange and correlation energy ar...
We derive an intrinsically temperature-dependent approximation to the correlation grand potential fo...
A widely used approximation to the exchange-correlation functional in density functional theory is t...
We show that the expression of the high-density (i.e., small-r s ) correlation energy per electron f...
Strong electronic correlations are at the heart of many interesting phenomena. For the theoretical d...
The exchange-correlation energy in Kohn-Sham density functional theory is expressed as a functional ...
The increasing interest in the Müller density-matrix-functional theory has led us to a systematic ma...
Reduced density matrix functional theory for the case of solids is presented and an exchange-correla...
26 pagesThe Colle and Salvetti approach [Theoret. Chim. Acta, 37, 329 (1975)] to the calculation of ...
URL:http://link.aps.org/doi/10.1103/PhysRevLett.103.166402 DOI:10.1103/PhysRevLett.103.166402We pre...
Extending the Hedin-Lundqvist approximation, originally developed for the three-dimensional electron...
http://arxiv.org/PS_cache/arxiv/pdf/0812/0812.0742v1.pdfThe exchange-correlation energy in Kohn-Sham...
The subject of this study is the exchange-correlation-energy functional of reduced density-matrix fu...
An approximation for the exchange-correlation energy of reduced-density-matrix-functional theory was...
An exchange-correlation energy functional involving fractional power of the one-body reduced density...
Physically valid and numerically efficient approximations for the exchange and correlation energy ar...
We derive an intrinsically temperature-dependent approximation to the correlation grand potential fo...
A widely used approximation to the exchange-correlation functional in density functional theory is t...
We show that the expression of the high-density (i.e., small-r s ) correlation energy per electron f...
Strong electronic correlations are at the heart of many interesting phenomena. For the theoretical d...
The exchange-correlation energy in Kohn-Sham density functional theory is expressed as a functional ...
The increasing interest in the Müller density-matrix-functional theory has led us to a systematic ma...
Reduced density matrix functional theory for the case of solids is presented and an exchange-correla...
26 pagesThe Colle and Salvetti approach [Theoret. Chim. Acta, 37, 329 (1975)] to the calculation of ...
URL:http://link.aps.org/doi/10.1103/PhysRevLett.103.166402 DOI:10.1103/PhysRevLett.103.166402We pre...
Extending the Hedin-Lundqvist approximation, originally developed for the three-dimensional electron...
http://arxiv.org/PS_cache/arxiv/pdf/0812/0812.0742v1.pdfThe exchange-correlation energy in Kohn-Sham...