相关论文: Quantum initial value representations using approx…
We discuss the particle method in quantum mechanics which provides an exact scheme to calculate the time-dependent wavefunction from a single-valued continuum of trajectories where two spacetime points are linked by at most a single orbit.…
The calculation of quantum canonical time correlation functions is considered in this paper. Transport properties, such as diffusion and reaction rate coefficients, can be determined from time integrals of these correlation functions.…
A method for carrying out semiclassical initial value representation calculations using first-principles molecular dynamics (FP-SC-IVR) is presented. This method can extract the full vibrational power spectrum of carbon dioxide from a…
Bohmian trajectories have been used for various purposes, including the numerical simulation of the time-dependent Schroedinger equation and the visualization of time-dependent wave functions. We review the purpose they were invented for:…
A quantum model based on a Euler-Lagrange variational approach is proposed. In analogy with the classical transport, our approach maintain the description of the particle motion in terms of trajectories in a configuration space. Our method…
The quantum trajectories in the de Broglie-Bohm formulation of quantum mechanics depend on an additional quantum potential derived from the full wave solution of Schr\"odinger's equation. The task of supplying collectively all the correct…
Quantum trajectory calculations for electrons are a useful tool in the field of molecular dynamics, e.g. to understand processes in ultrafast spectroscopy. They have, however, two limitation: On the one hand, such calculations are typically…
In this paper, I propose a technique for recovering quantum dynamical information from imaginary-time data via the resolution of a one-dimensional Hamburger moment problem. It is shown that the quantum autocorrelation functions are uniquely…
In the de Broglie-Bohm quantum theory, particles describe trajectories determined by the flux associated with their wave function. These trajectories are studied here for relativistic spin-one-half particles.Based in explicit numerical…
We observe that the Schrodinger equation may be written as two real coupled Hamilton-Jacobi (HJ)-like equations, each involving a quantum potential. Developing our established programme of representing the quantum state through exact…
Quantum hydrodynamics is a formulation of quantum mechanics based on the probability density and flux (current) density of a quantum system. It can be used to define trajectories which allow for a particle-based interpretation of quantum…
We introduce a method to construct wave packets with complete classical and quantum correspondence in one-dimensional non-relativistic quantum mechanics. First, we consider two similar oscillators with equal total energy. In classical…
The de Broglie-Bohm interpretation of quantum mechanics and quantum field theory is generalized in such a way that it describes trajectories of relativistic fermionic particles and antiparticles and provides a causal description of the…
Nonrelativistic quantum mechanics is commonly formulated in terms of wavefunctions (probability amplitudes) obeying the static and the time-dependent Schroedinger equations (SE). Despite the success of this representation of the quantum…
Here the ionization and high harmonic generation in Hydrogen and Helium by using quantum (hydrodynamic) trajectories is analyzed theoretically. The quantum trajectories allow a self-contained treatment of the electron exchange and…
A quantum mechanics representation based on position ($\vec{r}$), linear momentum($\vec{p}$) and energy($E$) eigenvalues is presented here. A set of equations, explicitly independent on wave function, was derived relating these observables.…
The coherent-state initial-value representation (IVR) for the semi-classical real-time propagator of a quantum system, developed by Herman and Kluk (HK), is widely used in computational studies of chemical dynamics. On the other hand, the…
Quantum systems in specific regimes display recurrences at the period of the periodic orbits of the corresponding classical system. We investigate the excited hydrogen atom in a magnetic field -- a prototypical system of 'quantum chaos' --…
t is shown that although the de Broglie-Bohm quantum theory of motion is equivalent to standard quantum mechanics when averages of dynamical variables are taken over a Gibbs ensemble of Bohmian trajectories, the equivalence breaks down for…
The correlation spectrum of fully developed one-dimensional mappings are studied near and at a weakly intermittent situation. Using a suitable infinite matrix representation, the eigenvalue equation of the Frobenius-Perron operator is…