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 , [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
We have calculated the correlation energy of the homogeneous electron gas (HEG) and the dissociation...
The energy usually serves as a yardstick in assessing the performance of approximate methods in comp...
A new local density functional approach for the calculation of correlation energies of many-electron...
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...
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 ...
The generalized gradient approximation (GGA) corrects many of the shortcomings of the local spin-den...
The Legendre transform of an (approximate) expression for the ground-state energy E-0(eta,g) of an N...
We derive an intrinsically temperature-dependent approximation to the correlation grand potential fo...
Chapter in the book "Density Functional Theory" edited by Eric Cancès and Gero Friesecke.Internation...
A viable way of extending the successful use of density-functional theory into studies of even more ...
A widely used approximation to the exchange-correlation functional in density functional theory is t...
We have calculated the correlation energy of the homogeneous electron gas (HEG) and the dissociation...
The energy usually serves as a yardstick in assessing the performance of approximate methods in comp...
A new local density functional approach for the calculation of correlation energies of many-electron...
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...
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 ...
The generalized gradient approximation (GGA) corrects many of the shortcomings of the local spin-den...
The Legendre transform of an (approximate) expression for the ground-state energy E-0(eta,g) of an N...
We derive an intrinsically temperature-dependent approximation to the correlation grand potential fo...
Chapter in the book "Density Functional Theory" edited by Eric Cancès and Gero Friesecke.Internation...
A viable way of extending the successful use of density-functional theory into studies of even more ...
A widely used approximation to the exchange-correlation functional in density functional theory is t...
We have calculated the correlation energy of the homogeneous electron gas (HEG) and the dissociation...
The energy usually serves as a yardstick in assessing the performance of approximate methods in comp...
A new local density functional approach for the calculation of correlation energies of many-electron...