Related papers: A gradient flow model for ground state calculation…
Wigner function is a quasi-distribution that provides a representation of the state of a quantum mechanical system in the phase space of position and momentum. In this paper we find a relation between Wigner function and appropriate…
A variational formulation for the calculation of interacting fermion systems based on the density-matrix functional theory is presented. Our formalism provides for a natural integration of explicit many-particle effects into standard…
Starting from the quantum Liouville equation for the density operator and applying the Weyl quantization, Wigner equations for the longitudinal and transversal optical and acoustic phonons are deduced. The equations are valid for any solid,…
This paper develops the so-called Weighted Energy-Dissipation (WED) variational approach for the analysis of gradient flows in metric spaces. This focuses on the minimization of the parameter-dependent global-in-time functional of…
Classical density functional theory (DFT) of fluids is a valuable tool to analyze inhomogeneous fluids. However, few numerical solution algorithms for three-dimensional systems exist. Here we present an efficient numerical scheme for fluids…
In [Dai et al, Multi. Model. Simul., 2020], a structure-preserving gradient flow method was proposed for the ground state calculation in Kohn-Sham density functional theory, based on which a linearized method was developed in [Hu, et al,…
We present an experimental scanning-based tomography approach for near-term quantum devices. The underlying method has previously been introduced in an ensemble-based NMR setting. Here we provide a tutorial-style explanation along with…
Using the phase-space formulation of quantum mechanics, we derive a four-component Wigner equation for a system composed of spin-1/2 fermions (typically, electrons) including the Zeeman effect and the spin-orbit coupling. This Wigner…
Modelling interfacial dynamics with soluble surfactants in a multiphase system is a challenging task. Here, we consider the numerical approximation of a phase-field surfactant model with fluid flow. The nonlinearly coupled model consists of…
We derive an analytical expression of a Wigner function that approximately describes the time evolution of the one-dimensional motion of a particle in a nonharmonic potential. Our method involves two exact frame transformations, accounting…
We propose a method for microscopic calculations of nuclear ground-state properties in the framework of density functional theory. We discuss how the density functional is equivalent to the effective action for the density, thereby…
The energy gradient theory was proposed in our previous studies. The mechanism of flow instability is very different in shear driven flows from pressure driven flows. In present paper, the relationship for the energy variation, work done,…
We introduce the Wigner functional representing a quantum field in terms of the field amplitudes and their conjugate momenta. The equation of motion for the functional of a scalar field point out the relevance of solutions of the classical…
In [Phys. Rev. Lett. 128, 013001 (2022)] a novel ground state method was proposed. It has been suggested that this $i$-DMFT would be a method within one-particle reduced density matrix functional theory (DMFT), capable of describing…
Numerical solution of Euler-Euler model using different in-house, open source and commercial software can generate significantly different results, even when the governing equations and the initial and boundary conditions are exactly same.…
We propose a phase-space Wigner harmonics entropy measure for many-body quantum dynamical complexity. This measure, which reduces to the well known measure of complexity in classical systems and which is valid for both pure and mixed states…
Phase-space features of the Wigner flow for generic one-dimensional systems with a Hamiltonian, $H^{W}(q,\,p)$, constrained by the $\partial ^2 H^{W} / \partial q \partial p = 0$ condition are analytically obtained in terms of Wigner…
We employ the Wigner function formalism to simulate partially coherent, dissipative electron transport in biased semiconductor superlattices. We introduce a model collision integral with terms that describe energy dissipation, momentum…
Over decades, the time evolution of Wigner functions along classical Hamiltonian flows has been used for approximating key signatures of molecular quantum systems. Such approximations are for example the Wigner phase space method, the…
The two-dimensional electron gas (2DEG) is a fundamental model, which is drawing increasing interest because of recent advances in experimental and theoretical studies of 2D materials. Current understanding of the ground state of the 2DEG…