Related papers: Quantum Continuum Mechanics Made Simple
An open quantum system refers to a system, which is in turn coupled to an environment that can describe time irreversible dynamics through which the system evolves toward the thermal equilibrium state. We present a quantum mechanically…
Density functional theory is currently the most widely applied method in electronic structure theory. The Kohn-Sham method, based on a fictitious system of non-interacting particles, is the work horse of the theory. The particular form of…
Pseudosupersymmetric quantum mechanics (PsSSQM), based upon the use of pseudofermions, was introduced in the context of a new Kemmer equation describing charged vector mesons interacting with an external constant magnetic field. Here we…
We formulate a general method for the study of semiclassical-like dynamics in stable regions of a mixed phase-space, in order to theoretically study the dynamics of quantum accelerator modes. In the simplest case, this involves determining…
We shall present a new strategy for handling mean field limits of quantum mechanical systems. The new method is simple and effective. It is simple, because it translates the idea behind the mean field description of a many particle quantum…
Within exact electron density-functional theory, we investigate Kohn-Sham (KS) potentials, orbital energies, and non-interacting kinetic energies of the fractional ions of Li, C and F. We use quantum Monte Carlo densities as input, which…
This paper is a sequence of the work presented in [1], where, the principles of the general relativity have been used to formulate quantum wave equations taking into account the effect of the electromagnetic and strong interactions in the…
We investigate the potential of a quantum Boltzmann equation without momentum conservation for description of strongly correlated electron systems out of equilibrium. In a spirit similar to dynamical mean field theory (DMFT), the momentum…
Quantum simulation is a potentially powerful application of quantum computing, holding the promise to be able to emulate interesting quantum systems beyond the reach of classical computing methods. Despite such promising applications, and…
In a previous preprint (quant-ph/0012122) we introduced a ``contextual objectivity" formulation of quantum mechanics (QM). A central feature of this approach is to define the quantum state in physical rather than in mathematical terms, in…
The implementation of the orbital minimization method (OMM) for solving the self-consistent Kohn-Sham (KS) problem for electronic structure calculations in a basis of non-orthogonal numerical atomic orbitals of finite-range is reported. We…
We derive a closed equation of motion for the current density of an inhomogeneous quantum many-body system under the assumption that the time-dependent wave function can be described as a geometric deformation of the ground-state wave…
An experimental study of the applicability of mechanics equations to describing the process of equilibrium establishing in an isolated spin system was performed. The time-reversion effects were used at the experiments. It was demonstrated,…
Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules,…
We discuss a systematic construction of dimensionless quantum-mechanical equations. The process reduces the number of independent model parameters to a minimum and, at the same time, provides the natural units of length, energy, etc. in a…
To leverage the redundancy between the electronic structure computed at each step of first-principles molecular dynamics, we present a data-driven modeling framework for Kohn-Sham Density Functional Theory that bypasses the explicit…
Recently, a new connection between density functional theory and kinetic theory has been proposed. In particular, it was shown that the Kohn-Sham (KS) equations can be reformulated as a macroscopic limit of the steady-state solution of a…
Solutions of quaternionic quantum mechanics (QQM) are difficult to grasp, even in simple physical situations. In this article, we provide simple and understandable free particle quaternionic solutions, that can be easily compared to complex…
The resources required to characterise the dynamics of engineered quantum systems-such as quantum computers and quantum sensors-grow exponentially with system size. Here we adapt techniques from compressive sensing to exponentially reduce…
Understanding how quantum materials return to equilibrium after being driven into excited states is a fundamental problem in condensed matter physics. A prototypical material, 1T-TaS$_2$, exhibits complex electronic textures made up of…