Related papers: Multiconfigurational time-dependent Hartree approa…
We introduce a thermofield-based formulation of the multilayer multiconfigurational time-dependent Hartree (ML-MCTDH) method to study finite temperature effects on non-adiabatic quantum dynamics from a non-stochastic, wave-function…
We develop and apply the multi-layer multi-configuration time-dependent Hartree method for bosons, which represents an ab initio method for investigating the non-equilibrium quantum dynamics of multi-species bosonic systems. Its multi-layer…
Nonequilibrium dynamical mean-field theory (DMFT) solves correlated lattice models by obtaining their local correlation functions from an effective model consisting of a single impurity in a self-consistently determined bath. The recently…
By simulating the real-time multielectron wavefunction with the multi-configurational time-dependent Hartree-Fock (MCTDHF) approach, we conduct an \textit{ab initio} study of the single-photon ionization process of a body-fixed water…
We study the quantum many-body dynamics and the entropy production triggered by an interaction quench in a system of $N=10$ interacting identical bosons in an external one-dimensional harmonic trap. The multiconfigurational time-dependent…
The multi-layer multi-configurational time-dependent Hartree (MCTDH) in optimized second quantization representation (oSQR) approach combines the tensor contraction scheme of the multi-layer MCTDH approach with the use of an optimized…
In this article, we explore the dissipation dynamics of a strongly coupled multidimensional system in contact with a Markovian bath following a system-bath approach. We use in this endeavour the recently developed stochastic…
The multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) theory within second quantization representation of the Fock space, a novel numerically exact methodology to treat many-body quantum dynamics for systems containing…
We employ the MultiConfiguraional Time-Dependent Hartree for Bosons (MCTDHB) method to study excited states of interacting Bose-Einstein condensates confined by harmonic and double-well trap potentials. Two approaches to access excitations,…
Microscopic methods and tools to describe nuclear dynamics have considerably been improved in the past few years. They are based on the time-dependent Hartree-Fock (TDHF) theory and its extensions to include pairing correlations and quantum…
We introduce a framework for resolving electron-hole dynamics within wavefunction-based multiconfigurational time-dependent Hartree-Fock (MCTDHF) theory. Central to this framework is a time-domain generalization of the extended Koopmans'…
While superfluidity is accurately grasped with a state that explicitly breaks the particle number symmetry, a precise description of phenomena like the particle transfer during heavy-ion reactions can only be achieved by considering systems…
The investigation of the nonequilibrium quantum dynamics of bosonic many-body systems is very challenging due to the excessively growing Hilbert space and poses a major problem for their theoretical description and simulation. We present a…
Multiconfigurational Hartree-Fock theory is presented and implemented in an investigation of the fragmentation of a Bose-Einstein condensate made of identical bosonic atoms in a double well potential at zero temperature. The approach builds…
A configuration-interaction time-dependent density functional theory (CI-TDDFT) for nuclear dynamics is developed. In this framework, the correlated nuclear many-body wave function is expanded in terms of time-dependent many-particle…
Many chemical systems cannot be described by quantum chemistry methods based on a singlereference wave function. Accurate predictions of energetic and spectroscopic properties require a delicate balance between describing the most important…
We report a three-dimensional numerical implementation of multiconfiguration time-dependent Hartree-Fock (MCTDHF) based on a multi-resolution Cartesian grid, with no need to assume any symmetry of molecular structure. We successfully…
Quantum many-body nuclear dynamics is treated at the mean-field level with the time-dependent Hartree-Fock (TDHF) theory. Low-lying and high-lying nuclear vibrations are studied using the linear response theory. The fusion mechanism is also…
We solve the Schr\"odinger equation from first principles to investigate the many-body effects in the expansion dynamics of one-dimensional repulsively interacting bosons released from a harmonic trap. We utilize the multiconfigurational…
Numerical simulations of quantum spin models are crucial for a profound understanding of many-body phenomena in a variety of research areas in physics. An outstanding problem is the availability of methods to tackle systems that violate…