相关论文: A Time-Dependent Born-Oppenheimer Approximation wi…
We consider a sequence of approximate solutions to the compressible Euler system admitting uniform energy bounds and/or satisfying the relevant field equations modulo an error vanishing in the asymptotic limit. We show that such a sequence…
We show that the usual Born-Oppenheimer type of approximation used in quantum gravity, in which a semiclassical time parameter emerges from a weak-coupling expansion of the Wheeler-DeWitt constraint, leads to a unitary theory at least up to…
This article proposes a so-called Quasi Time-Reversible (QTR G-Ext) scheme based on Grassmann extrapolation of density matrices for an accurate calculation of initial guesses in Born-Oppenheimer Molecular Dynamics simulations. The method…
It is proposed that the Schrodinger equation for a free point particle has non-linear corrections which depend on the mass of the particle. It is assumed that the corrections become extremely small when the mass is much smaller or much…
We discuss a simple singular system in two dimension, two heavy particles interacting with a light particle via an attractive contact interaction. Although intuitively clear the actual application of the Born-Oppenheimer approximation to…
Extended Lagrangian Born-Oppenheimer molecular dynamics [Phys. Rev. Lett., ${\bf 100}$, 123004 (2008)] is formulated for general Hohenberg-Kohn density functional theory and compared to the extended Lagrangian framework of first principles…
We present an ab initio approach to solve the time-dependent Schr\"odinger equation to treat electron and photon impact multiple ionization of atoms or molecules. It combines the already known time scaled coordinate method with a new high…
We derive optimal order a posteriori error estimates for fully discrete approximations of linear Schr\"odinger-type equations, in the $L^\infty(L^2)-$norm. For the discretization in time we use the Crank-Nicolson method, while for the space…
We study low-rank tensor methods for the numerical solution of Schr\"odinger's equation with time-independent and explicitly time-dependent Hamiltonians, motivated by large-scale simulations of many-body quantum systems and quantum…
An analysis of the motion of a relativistic electron under a linear constraint in four dimensions is presented. Interesting results are given that show that the state of the electron is well defined under the formalism of time optimal…
We produce an exact solution of the Schr\"odinger equation for the generalized time dependent Swanson oscillator. The system studied is a non-Hermitian setup characterized by time dependent complex coefficients. The exact solution is…
In order to interpret precise measurements of molecular properties the finite nuclear mass corrections to the Born-Oppenheimer approximation have to be accounted for. It is shown that they can be obtained systematically in the perturbative…
It is argued that the Schr\"odinger equation does not yield a correct description of the quantum-mechanical time evolution of states of isolated (open) systems featuring events. A precise general law for the time evolution of states…
An eikonal expansion is developed in order to provide systematic corrections to the eikonal approximation through order 1/k^2, where k is the wave number. The expansion is applied to wave functions for the Klein-Gordon equation and for the…
Time dependent quantum systems have become indispensable in science and its applications, particularly at the atomic and molecular levels. Here, we discuss the approximation of closed time dependent quantum systems on bounded domains, via…
The rate of strong convergence is investigated for an approximation scheme for a class of stochastic differential equations driven by a time-changed Brownian motion, where the random time changes $(E_t)_{t\ge 0}$ considered include the…
In this paper we consider the initial-boundary value problem for the time-dependent Maxwell-Schr\"{o}dinger equations, which arises in the interaction between the matter and the electromagnetic field for the semiconductor quantum devices. A…
The oscillator bases expansion stands as an efficient approximation method for the time-independent Schr\"odinger equation. The method, originally formulated with one non-linear variational parameter, can be extended to incorporate two such…
Bohmian mechanics is a non-relativistic quantum theory based on a particle approach. In this paper we study the Schr\"odinger equation with rapidly oscillating potential and the associated Bohmian trajectory. We prove that the corresponding…
We consider the Bohr correspondence limit of the Schrodinger wave function for an atomic elliptic state. We analyse this limit in the context of Nelson's stochastic mechanics, exposing an underlying deterministic dynamical system in which…