Related papers: Non-adiabatic quantum molecular dynamics: Generali…
We introduce a new class of nonlocal kinetic equations and nonlocal Fokker-Planck equations associated with an effective generalized thermodynamical formalism. These equations have a rich physical and mathematical structure that can…
We discuss three different aspects of the quantum dynamics of bio-molecular systems and more generally complex networks in the presence of strongly coupled environments. Firstly, we make a case for the systematic study of fundamental…
Universality of quantum mechanics -- its applicability to physical systems of quite different nature and scales -- indicates that quantum behavior can be a manifestation of general mathematical properties of systems containing…
We present an alternative, univocal characterization of the continuous transition from atomic to molecular shape in the Coulomb system constituted by two identical particles and a third particle with the opposite charge, as the mass ratio…
In this paper, we discuss the quantum dynamics of a nonlinear system that admits temporally localized solutions at the classical level. We consider a general ordered position-dependent mass Hamiltonian in which the ordering parameters of…
We review a molecular dynamics method for nucleon many-body systems called the quantum molecular dynamics (QMD) and our studies using this method. These studies address the structure and the dynamics of nuclear matter relevant to the…
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…
In this article it will be introduced a new theorem, can be considered a generalization of Hellmann-Feynman theorem[1]. The latter used in conjunction with the quantization of the free energy[2] of a quantum system allows to derive…
We introduce a general and systematic theoretical framework for Operational Dynamic Modeling (ODM) by combining a kinematic description of a model with the evolution of the dynamical average values. The kinematics includes the algebra of…
We treat a relativistically moving particle interacting with a quantum field from an open system viewpoint of quantum field theory by the method of influence functionals or closed-time-path coarse-grained effective actions. The particle…
Nonadiabatic dynamical processes are one of the most important quantum mechanical phenomena in chemical, materials, biological, and environmental molecular systems, where the coupling between different electronic states is either inherent…
In classical mechanics, external constraints on the dynamical variables can be easily implemented within the Lagrangian formulation. Conversely, the extension of this idea to the quantum realm, which dates back to Dirac, has proven…
The formalism of quantum mechanics is presented in a way that its interpretation as a classical field theory is emphasized. Two coupled real fields are defined with given equations of motion. Densities and currents associated to the fields…
Mixed-quantum classical (MQC) methods for simulating the dynamics of molecules at metal surfaces have the potential to accurately and efficiently provide mechanistic insight into reactive processes. Here, we introduce simple two-dimensional…
We present, for the first time, an action principle that gives the equations of motion of an extended body possessing multipole moments in an external gravitational field, in the weak field limit. From the action, the experimentally…
This paper presents a formalism describing the dynamics of a quantum particle in a one-dimensional, time-dependent, tilted lattice. The formalism uses the Wannier-Stark states, which are localized in each site of the lattice, and provides a…
Diffusion preserves the positivity of concentrations, therefore, multicomponent diffusion should be nonlinear if there exist non-diagonal terms. The vast variety of nonlinear multicomponent diffusion equations should be ordered and special…
Electron transfer is an important and fundamental process in chemistry, biology and physics, and has received significant attention in recent years. Perhaps one of the most intriguing questions concerns with the realization of the…
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…
The dynamical mean-field concept of approximating an unsolvable many-body problem in terms of the solution of an auxiliary quantum impurity problem, introduced to study bulk materials with a continuous energy spectrum, is here extended to…