Journal ArticleDOI
Hydrodynamic equations for mixed quantum states. II. Coupled electronic states
Reads0
Chats0
TLDR
In this paper, a hierarchy of hydrodynamic equations which are equivalent to the exact quantum Liouville equation for coupled electronic states is derived to describe nonadiabatic nuclear dynamics.Abstract:
A hydrodynamic approach is developed to describe nonadiabatic nuclear dynamics. We derive a hierarchy of hydrodynamic equations which are equivalent to the exact quantum Liouville equation for coupled electronic states. It is shown how the interplay between electronic populations and coherences translates into the coupled dynamics of the corresponding hydrodynamic fields. For the particular case of pure quantum states, the hydrodynamic hierarchy terminates such that the dynamics may be described in terms of the local densities and momentum fields associated with each of the electronic states.read more
Citations
More filters
Journal ArticleDOI
An On-the-Fly Surface-Hopping Program JADE for Nonadiabatic Molecular Dynamics of Polyatomic Systems: Implementation and Applications.
Likai Du,Zhenggang Lan +1 more
TL;DR: The recently developed on-the-fly JADE package, JADE, is presented, which allows researchers to perform nonadiabatic excited-state dynamics simulations of polyatomic systems at an all-atomic level.
Journal ArticleDOI
Reconciling semiclassical and Bohmian mechanics. I. Stationary states
TL;DR: This paper unify these two approaches to quantum trajectory methods into a single method that captures the best features of both, and in addition, satisfies the correspondence principle.
Journal ArticleDOI
Applied Bohmian mechanics
TL;DR: In this article, the authors present a large list of examples showing how the Bohmian formalism provides a useful solution in different forefront research fields for this kind of problems (where the Bohmanian and the quantum hydrodynamic formalisms coincide).
Journal ArticleDOI
Selective adsorption resonances: Quantum and stochastic approaches
TL;DR: In this article, a review of recent advances in the theory of the selective adsorption phenomenon that appears in light atom/molecule scattering off solid surfaces is presented, which can be obtained by means of a plethora of theoretical methods developed in both the energy and time domains.
Journal ArticleDOI
On trajectory-based nonadiabatic dynamics: Bohmian dynamics versus trajectory surface hopping
TL;DR: A careful comparison of the correlated, NABDY, and the uncorrelated, TSH, propagation is given together with a description of the main approximations and assumptions underlying the "derivation" of a nonadiabatic molecular dynamics scheme based on classical trajectories.
References
More filters
Journal ArticleDOI
A suggested interpretation of the quantum theory in terms of "hidden" variables. ii
TL;DR: In this paper, the theory of measurements is to be understood from the point of view of a physical interpretation of the quantum theory in terms of hidden variables developed in a previous paper.
Book
Principles of Nonlinear Optical Spectroscopy
TL;DR: In this article, the authors present a simulation of the optical response functions of a multilevel system with relaxation in a multimode Brownian Oscillator Model and a wavepacket analysis of nonimpulsive measurements.
Journal ArticleDOI
Speakable and Unspeakable in Quatum Mechanics
J. S. Bell,N. David Mermin +1 more
TL;DR: Koestler's book The Sleepwalkers as discussed by the authors is an account of the Copernican revolution, with Copernicus, Kepler, and Galilei as heroes, and he concluded that they were not really aware of what they were doing.
Journal ArticleDOI
Molecular dynamics with electronic transitions
TL;DR: In this article, a method for carrying out molecular dynamics simulations of processes that involve electronic transitions is proposed, where the time dependent electronic Schrodinger equation is solved self-consistently with the classical mechanical equations of motion of the atoms.
Journal ArticleDOI
Quantum mechanics as a statistical theory
TL;DR: In this article, an attempt is made to interpret quantum mechanics as a statistical theory, or more exactly as a form of non-deterministic statistical dynamics, which may hence be considered as an interpretation of quantum kinematics.