Related papers: Quasi-classical description of molecular dynamics …
A new model of quantum mechanics, Classical Quantum Mechanics, is based on the (nearly heretical) postulate that electrons are physical objects that obey classical physical laws. Indeed, ionization energies, excitation energies etc. are…
We have developed a quantum-quasiclassical computational scheme for quantitative treating of the nonseparable quantum-classical dynamics of the 6D hydrogen atom in a strong laser pulse. In this approach, the electron is treated quantum…
Quantum mechanics has been formulated in phase space, with the Wigner function as the representative of the quantum density operator, and classical mechanics has been formulated in Hilbert space, with the Groenewold operator as the…
We study nuclear propagation through avoided crossings of electron energy levels. We construct a surface hopping semigroup, which gives an Egorov-type description of the dynamics. The underlying time-dependent Schroedinger equation has a…
In this paper we analyze the evolution of the time averaged energy densities associated with a family of solutions to a Schr{\"o}dinger equation on a Lie group of Heisenberg type. We use a semi-classical approach adapted to the stratified…
The Gaussian Wave-Packet phase-space representation is used to show that the expansion in powers of $\hbar$ of the quantum Liouville propagator leads, in the zeroth order term, to results close to those obtained in the statistical…
Semiclassical approximations to quantum dynamics are almost as old as quantum mechanics itself. In the approach pioneered by Wigner, the evolution of his quasiprobability density function on phase space is expressed as an asymptotic series…
A classical approximation to time dependent quantum mechanical scattering in the M\o{}ller formalism is presented. Numerically, our approach is similar to a standard Classical-Trajectory-Monte-Carlo calculation. Conceptually, however, our…
In the classical work by Irving and Zwanzig [Irving J.H. and Zwanzig R.W., J. Chem. Phys. 19 (1951), 1173-1180 ] it has been shown that quantum observables for macroscopic density, momentum and energy satisfy the conservation laws of fluid…
The extended Gutzwiller trajectory approach is presented for the semiclassical description of nuclear collective dynamics, in line with the main topics of the fruitful activity of V.G. Solovjov. Within the Fermi-liquid droplet model, the…
We use a semiclassical approach to study out of equilibrium dynamics and transport in quantum systems with massive quasiparticle excitations having internal quantum numbers. In the universal limit of low energy quasiparticles, the system is…
We study the time evolution of the quantum-classical correspondence (QCC) for the well known model of quantised perturbed cat maps on the torus in the very specific regime of semi-classically small perturbations. The quality of the QCC is…
The goal of this article is to investigate the dynamics of semi-relativistic or non-relativistic charged particles in interaction with a scalar meson field. Our main contribution is the derivation of the classical dynamics of a…
The application of a classical approach to various quantum problems - the secular perturbation approach to quantization of a hydrogen atom in external fields and a helium atom, the adiabatic switching method for calculation of a…
This course is aimed at graduate students in physics in mathematics and designed to give a comprehensive introduction to Weyl quantization and semiclassics via Egorov's theorem. Chapter 2 gives a quick overview of classical and quantum…
Molecular dynamics simulation is used to investigate the crystallization of a classical two-dimensional electron system, in which electrons interact with the Coulomb repulsion. From the positional and the orientational correlation…
It is known that ab initio molecular dynamics based on the electron ground state eigenvalue can be used to approximate quantum observables in the canonical ensemble when the temperature is low compared to the first electron eigenvalue gap.…
Quantum-classical molecular dynamics, as a partial classical limit of the full quantum Schr\"odinger equation, is a widely used framework for quantum molecular dynamics. The underlying equations are nonlinear in nature, containing a quantum…
A semiclassical approximation is derived by using a family of wavepackets to map arbitrary wavefunctions into phase space. If the Hamiltonian can be approximated as linear over each individual wavepacket, as often done when presenting…
We build a semi-classical quantization procedure for finite volume man- ifolds with hyperbolic cusps, adapted to a geometrical class of symbols. We prove an Egorov Lemma until Ehrenfest times on such manifolds. Then we give a version of…