Related papers: Multiconfigurational time-dependent Hartree approa…
Predictivity of the Kohn-Sham approach to dynamical problems, when regarded as an initial value problem in a time-dependent density functional framework, is analysed for a class of models for which the argument devised in the work of Maitra…
The out-of-equilibrium quantum dynamics of a Bose gas trapped in an asymmetric double well and interacting with a finite-range interaction has been studied in real space by solving the time-dependent many-body Schr\"odinger equation…
The computation of the nuclear quantum dynamics of molecules is challenging, requiring both accuracy and efficiency to be applicable to systems of interest. Recently, theories have been developed for employing time-dependent basis functions…
The Hartree-Fock approximation for bosons employs variational wave functions that are a combination of permanents. These are bosonic counterpart of the fermionic Slater determinants, but with the significant distinction that the…
The decay process of the schematic one-dimensional three-body system is considered. A time-dependent approach is used in combination with a one-dimensional three-body model, which is composed of a heavier core nucleus and two nucleons, with…
The multiconfigurational time-dependent Hartree-Fock method (MCTDHF) is applied for simulations of the two-photon ionization of Helium. We present results for the single- and double ionization from the groundstate for photon energies in the…
We present a systematic method for dealing with time dependent quantum dynamics, based on the quantum brachistochrone and matrix mechanics. We derive the explicit time dependence of the Hamiltonian operator for a number of constrained…
We develop a framework to systematically investigate the influence of many-particle interference on the dynamics of generic $-$ possibly interacting $-$ bosonic systems. We consider mixtures of bosons which belong to several distinguishable…
A novel Rayleigh-Schr\"odinger many-body perturbation theory (MBPT) approach is introduced by making use of a particle-number-breaking Bogoliubov reference state to tackle (near-)degenerate open-shell fermionic systems. By choosing a…
We investigate the accuracy of a number of wavefunction based methods at the heart of quantum chemistry for metallic systems. Using Hartree-Fock as a reference, perturbative (M{\o}ller-Plesset, MP) and coupled cluster (CC) theories are used…
In this work, we derive the time-dependent Hartree(-Fock) equations as an effective dynamics for fermionic many-particle systems. Our main results are the first for a quantum mechanical mean-field dynamics for fermions; in previous works,…
We introduce a family of relativistic non-rigid non-inertial frames as a gauge fixing of the description of N positive energy particles in the framework of parametrized Minkowski theories. Then we define a multi-temporal quantization scheme…
In this work, we develop a self-consistent Hartree-Fock approach to theoretically study the far-from-equilibrium quantum dynamics of interacting fermions, and apply this approach to explore the onset of many-body localization (MBL) in these…
In this study, a variety of methods are tested and compared for the numerical solution of the Schr\"odinger equation for few-body systems with explicitely time-dependent Hamiltonians, with the aim to find the optimal one. The configuration…
This review explores the dynamics and the low-energy excitation spectra of Bose-Einstein condensates (BECs) of interacting bosons in external potential traps putting particular emphasis on the emerging many-body effects beyond mean-field…
We present a formulation and numerical algorithm to extend the scheme for grey radiation magneto-hydrodynamics (MHD) developed by Jiang (2021) to include the frequency dependence via the multi-group approach. The entire frequency space can…
We present an extensive review of the two-dimensional finite difference Hartree--Fock (FD HF) method, and present its implementation in the newest version of X2DHF, the FD HF program for atoms and diatomic molecules. The program was…
A new method is presented to reconstruct the potential of a quantum mechanical many-body system from observational data, combining a nonparametric Bayesian approach with a Hartree-Fock approximation. A priori information is implemented as a…
The time-dependent Hartree-Fock (TDHF) method is an approach to simulate the mean field dynamics of electrons within the assumption that the electrons move independently in their self-consistent average field and within the space of single…
A common approach to modeling dispersion interactions and overcoming the inaccurate description of long-range correlation effects in electronic structure calculations is the use of pairwise-additive potentials, as in the…