We derive an intrinsically temperature-dependent approximation to the correlation grand potential for many-electron systems in thermodynamical equilibrium in the context of finite-temperature reduced-density-matrix-functional theory (FT-RDMFT). We demonstrate its accuracy by calculating the magnetic phase diagram of the homogeneous electron gas. We compare it to known limits from highly accurate quantum Monte Carlo calculations as well as to phase diagrams obtained within existing exchange-correlation approximations from density functional theory and zero-temperature RDMFT
The variational and diffusion quantum Monte Carlo methods are used to calculate the correlation ener...
Physically valid and numerically efficient approximations for the exchange and correlation energy ar...
The density matrix quantum Monte Carlo (DMQMC) method is used to sample exact-on-average N-body dens...
We derive an intrinsically temperature-dependent approximation to the correlation grand potential fo...
The subject of this study is the exchange-correlation-energy functional of reduced density-matrix fu...
Finite-temperature density functional theory (DFT) has become of topical interest, partly due to the...
The density matrix quantum Monte Carlo (DMQMC) method is used to sample exact-on-average N-body dens...
An approximation for the exchange-correlation energy of reduced-density-matrix-functional theory was...
In a recent Letter [T.~Dornheim \textit{et al.}, Phys. Rev. Lett. \textbf{117}, 156403 (2016)], we p...
An exchange-correlation energy functional involving fractional power of the one-body reduced density...
The generalization of the zero temperature local density functional theory of inhomogeneous electron...
We discuss the finite-temperature generalization of time-dependent density functional theory (TDDFT)...
This thesis describes theoretical studies which are concerned with the temperature dependence of exc...
Reduced density matrix functional theory for the case of solids is presented and an exchange-correla...
A widely used approximation to the exchange-correlation functional in density functional theory is t...
The variational and diffusion quantum Monte Carlo methods are used to calculate the correlation ener...
Physically valid and numerically efficient approximations for the exchange and correlation energy ar...
The density matrix quantum Monte Carlo (DMQMC) method is used to sample exact-on-average N-body dens...
We derive an intrinsically temperature-dependent approximation to the correlation grand potential fo...
The subject of this study is the exchange-correlation-energy functional of reduced density-matrix fu...
Finite-temperature density functional theory (DFT) has become of topical interest, partly due to the...
The density matrix quantum Monte Carlo (DMQMC) method is used to sample exact-on-average N-body dens...
An approximation for the exchange-correlation energy of reduced-density-matrix-functional theory was...
In a recent Letter [T.~Dornheim \textit{et al.}, Phys. Rev. Lett. \textbf{117}, 156403 (2016)], we p...
An exchange-correlation energy functional involving fractional power of the one-body reduced density...
The generalization of the zero temperature local density functional theory of inhomogeneous electron...
We discuss the finite-temperature generalization of time-dependent density functional theory (TDDFT)...
This thesis describes theoretical studies which are concerned with the temperature dependence of exc...
Reduced density matrix functional theory for the case of solids is presented and an exchange-correla...
A widely used approximation to the exchange-correlation functional in density functional theory is t...
The variational and diffusion quantum Monte Carlo methods are used to calculate the correlation ener...
Physically valid and numerically efficient approximations for the exchange and correlation energy ar...
The density matrix quantum Monte Carlo (DMQMC) method is used to sample exact-on-average N-body dens...