相关论文: Operator Method for Nonperturbative Calculation of…
The Bohmian formulation of quantum mechanics is used in order to describe the measurement process in an intuitive way without a reduction postulate in the framework of a deterministic single system theory. Thereby the motion of the hidden…
The quantum kinetic equation used in the study of weak turbulence is reconsidered in the context of a theory with a generic quartic interaction. The expectation value of the time derivative of the mode number operators is computed in a…
We introduce a class of interatomic potential models that can be automatically generated from data consisting of the energies and forces experienced by atoms, derived from quantum mechanical calculations. The resulting model does not have a…
A link between memory effects in quantum kinetic equations and nonequilibrium correlations associated with the energy conservation is investigated. In order that the energy be conserved by an approximate collision integral, the one-particle…
Operational quantum stochastic thermodynamics is a recently proposed theory to study the thermodynamics of open systems based on the rigorous notion of a quantum stochastic process or quantum causal model. In there, a stochastic trajectory…
We introduce a method to carry out zero-temperature calculations within density functional theory (DFT) but without relying on the Born-Oppenheimer (BO) approximation for the ionic motion. Our approach is based on the finite-temperature…
The fundamentals of Statistical Mechanics require a fresh definition in the context of the developments in Classical Mechanics of integrable and chaotic systems. This is done with the introduction of Micro Partitions ; a union of disjoint…
We develop a general formulation of quantum statistical mechanics in terms of probability currents that satisfy continuity equations in the multi-particle position space, for closed and open systems with a fixed number of particles. The…
This work presents a detailed description of the thermochemical non-equilibrium dissociation of diatomic molecules, and applies this theory to the case of $\rm H_2$ dissociation. The master equations are used to derive corresponding…
Quantum optical measurement techniques offer a rich avenue for quantum control of mechanical oscillators via cavity optomechanics. In particular, a powerful yet little explored combination utilizes optical measurements to perform heralded…
We have calculated the quantum correction(QC) in the vibrational partition function and thermodynamic state functions, e.g., internal energy, specific heat, free energy and entropy by using improved Manning-Rosen(MR) potential for Li_2,…
We introduce a numerical method to simulate nonlinear open quantum dynamics of a particle in situations where its state undergoes significant expansion in phase space while generating small quantum features at the phase-space Planck scale.…
We present a quantum algorithm to prepare the thermal Gibbs state of interacting quantum systems. This algorithm sets a universal upper bound D^alpha on the thermalization time of a quantum system, where D is the system's Hilbert space…
We derive an exact quantum propagator for nonadiabatic dynamics in multi-state systems using the mapping variable representation, where classical-like Cartesian variables are used to represent both continuous nuclear degrees of freedom and…
Koopman operator describes evolution of observables in the phase space, which could be used to extract characteristic dynamical features of a nonlinear system. Here, we show that it is possible to carry out interesting symbolic partitions…
Aim of this paper is to show the possible significance, and usefulness, of various non-selfadjoint operators for suitable Observables in non relativistic and relativistic quantum mechanics, and in quantum electrodynamics. More specifically,…
We develop a finite temperature field theory formalism in any dimension that has the filling fractions as the basic dynamical variables. The formalism efficiently decouples zero temperature dynamics from the quantum statistical sums. The…
This work introduces novel unconditionally stable operator splitting methods for solving the time dependent nonlinear Poisson-Boltzmann (NPB) equation for the electrostatic analysis of solvated biomolecules. In a pseudo-transient…
The Hamiltonian operator plays a central role in quantum theory being a generator of unitary quantum dynamics. Its expectation value describes the energy of a quantum system. Typically being a non-unitary operator, the action of the…
In the present work we introduce a computational approach to the absolute rovibrational quantum partition function using the path-integral formalism of quantum mechanics in combination with the nested sampling technique. The numerical…