Related papers: Accuracy of the time-dependent Hartree-Fock approx…
We discuss various ways to handle self-interaction corrections (SIC) to Density Functional Theory (DFT) calculations. To that end, we use a simple model of few particles in a finite number of states together with a simple zero-range…
An extension of the time-dependent Hartree-Fock-Bogoliubov theory (ETDHFB) which includes higher-order effects such as screening of the pairing correlation is proposed. ETDHFB is applied to a fermion system trapped in a harmonic potential…
Using the fractional moment method it is shown that, within the Hartree-Fock approximation for the Disordered Hubbard Hamiltonian, weakly interacting Fermions at positive temperature exhibit localization, suitably defined as exponential…
We derive an exact single-body decomposition of the time-dependent Schroedinger equation for N pairwise-interacting fermions. Each fermion obeys a stochastic time-dependent norm-preserving wave equation. As a first test of the method we…
The solutions of the Wigner-transformed time-dependent Hartree--Fock--Bogoliubov equations are studied in the constant-$\Delta$ approximation. This approximation is known to violate particle-number conservation. As a consequence, the…
Consider a complex energy $z$ for a $N$-particle Hamiltonian $H$ and let $\chi$ be any wave packet accounting for any channel flux. The time independent mean field (TIMF) approximation of the inhomogeneous, linear equation…
The Hartree-Fock equation is a fundamental equation in many-electron problems. It is of practical importance in quantum chemistry to find solutions to the Hartree-Fock equation. The self-consistent field (SCF) method is a standard numerical…
We develop a statistical method to learn a molecular Hamiltonian matrix from a time-series of electron density matrices. We extend our previous method to larger molecular systems by incorporating physical properties to reduce…
The nuclear symmetry energy is defined by the second derivative of the energy per nucleon with respect to the proton-neutron asymmetry, and is sometimes approximated by the energy difference between the neutron matter and the symmetric…
Time-dependent (TD) density functional theory (TDDFT) promises a numerically tractable account of many-body electron dynamics provided good simple approximations are developed for the exchange-correlation (XC) potential functional (XCPF).…
I review results concerning the derivation of effective equations for the dynamics of interacting Fermi gases in a high-density regime of mean-field type. Three levels of effective theories, increasing in precision, can be distinguished:…
We develop a novel approach to fusion reactions for syntheses of superheavy elements, which combines the time-dependent Hartree-Fock (TDHF) method with a dynamical diffusion model based on the Langevin equation. In this approach, the…
The density matrix expansion is used to derive a local energy density functional for finite range interactions with a realistic meson exchange structure. Exchange contributions are treated in a local momentum approximation. A generalized…
We introduce a new method for deriving the time-dependent Hartree or Hartree-Fock equations as an effective mean-field dynamics from the microscopic Schroedinger equation for fermionic many-particle systems in quantum mechanics. The method…
The $N$-particle wavefunction has too many dimensions for a direct time propagation of a many-body system according to the time-dependent Schr\"odinger equation (TDSE). On the other hand, time-dependent density functional theory (TDDFT)…
Excitation energies of light-emitting organic conjugated polymers have been investigated with time-dependent density functional theory (TDDFT) within the adiabatic approximation for the dynamical exchange-correlation potential. Our…
The density-constrained time-dependent Hartree-Fock (DC-TDHF) theory is a fully microscopic approach for calculating heavy-ion interaction potentials and fusion cross sections below and above the fusion barrier. We discuss recent…
We consider a system of N weakly interacting fermions with a real analytic pair interaction. We prove that for a general class of initial data there exists a fixed time T such that the difference between the one particle density matrix of…
This work establishes the time-dependent relativistic Hartree-Fock (TD-RHF) model with spherical symmetry for the first time. The time-dependent integro-differential Dirac equations are solved by expanding Dirac spinors on the spherical…
We analyze the many-particle Schrodinger equation for fermions in a thermal ensemble by introducing an exponential operator expansion, defined in the context of thermofield dynamics. The expansion is optimized variationally at each time…