Related papers: Multiconfigurational time-dependent Hartree approa…
Bohmian mechanics is an interpretation of quantum mechanics that describes the motion of quantum particles with an ensemble of deterministic trajectories. Several attempts have been made to utilize Bohmian trajectories as a computational…
It has been known that the time-dependent Hartree-Fock (TDHF) method, or the time-dependent density functional theory (TDDFT), fails to describe many-body quantum tunneling. We overcome this problem by superposing a few time-dependent…
Multi-configuration range-separated density-functional theory is extended to the time-dependent regime. An exact variational formulation is derived. The approximation, which consists in combining a long-range…
We examine the applicability of the numerically accurate method of time dependent variation with multiple Davydov Ansatze (mDA) to non-Hermitian systems. Three systems of interest includes: a non-Hermitian system of dissipative Landau-Zener…
In this work we investigate the functional differentiability of the time-dependent many-body wave function and of derived quantities with respect to time-dependent potentials. For properly chosen Banach spaces of potentials and wave…
Transition metal ions play crucial roles in the structure and function of numerous proteins, contributing to essential biological processes such as catalysis, electron transfer, and oxygen binding. However, accurately modeling the…
At present there are two vastly different ab initio approaches to the description of the the many-body dynamics: the Density Functional Theory (DFT) and the functional integral (path integral) approaches. On one hand, if implemented…
We have developed a time propagation scheme for the Kadanoff-Baym equations for general inhomogeneous systems. These equations describe the time evolution of the nonequilibrium Green function for interacting many-body systems in the…
The time-dependence of multi-point observable correlation functions are essential quantities in analysis and simulation of quantum dynamics. Open quantum systems approaches utilize two-point correlations to describe the influence of an…
We developed a general theoretical approach and a user-ready computer code that permit to study the dynamics of collisional energy transfer and ro-vibrational energy exchange in complex molecule-molecule collisions. The method is a mixture…
The $4d \to 3p$ x-ray transitions in Cu- and Ni-like tungsten ions have been studied theoretically. The multiconfiguration Dirac-Hartree-Fock (MCDHF) method and the large-scale relativistic configuration-interaction (CI) method have been…
The solution of the Feinberg-Horodecki (FH) equation for a time-dependent mass (TDM) harmonic oscillator quantum system is studied. A certain interaction is applied to a mass to provide a particular spectrum of stationary energies. The…
We explore the tunneling dynamics of strongly correlated bosonic mixtures in a one-dimensional double-well. The role of the inter- and intra-species interactions and their interplay is investigated using the numerically exact…
We propose a time-dependent many-body approach to study the short-time dynamics of correlated electrons in quantum transport through nanoscale systems contacted to metallic leads. This approach is based on the time-propagation of the…
The time-dependent Hartree and Hartree-Fock equations provide effective mean-field descriptions for the dynamics of large fermionic systems and play a fundamental role in many areas of physics. In this work, we rigorously derive the…
We demonstrate that a conditional wavefunction theory enables a unified and efficient treatment of the equilibrium structure and nonadiabatic dynamics of correlated electron-ion systems. The conditional decomposition of the many-body…
Traditional multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) methods are based on a single orthonormal orbital basis (OB). For atoms with complicated shell structures, a large OB is needed to saturate all the…
Modeling many-body quantum systems with strong interactions is one of the core challenges of modern physics. A range of methods has been developed to approach this task, each with its own idiosyncrasies, approximations, and realm of…
The anharmonic lattice is a representative example of an interacting bosonic many-body system. The self-consistent harmonic approximation has proven versatile for the study of the equilibrium properties of anharmonic lattices. However, the…
The emergence of collective behaviors and the existence of large amplitude motions are both central features in the fields of nuclear structure and reactions. From a theoretical point of view, describing such phenomena requires increasing…