Related papers: The Moving Born-Oppenheimer Approximation
Both computational and experimental material discovery bring forth the challenge of exploring multidimensional and often non-differentiable parameter spaces, such as phase diagrams of Hamiltonians with multiple interactions, composition…
In this paper, we introduce a novel method for deriving higher order corrections to the mean-field description of the dynamics of interacting bosons. More precisely, we consider the dynamics of $N$ $d$-dimensional bosons for large $N$. The…
The Hamiltonian conservative system of two interacting particles has been considered both in classical and quantum description. The quantum model has been realized using a symmetrized two-particle basis reordered in the unperturbed energy.…
In this paper we study quantum dynamics of the bouncing cosmological model. We focus on the model of the flat Friedman-Robertson-Walker universe with a free scalar field. The bouncing behavior, which replaces classical singularity, appears…
We make the case for studying the complexity of approximately simulating (sampling) quantum systems for reasons beyond that of quantum computational supremacy, such as diagnosing phase transitions. We consider the sampling complexity as a…
We present a framework for simulating relaxation dynamics through a conical intersection of an open quantum system that combines methods to approximate the motion of degrees of freedom with disparate time and energy scales. In the vicinity…
An approach to correlated dynamics of quantum nuclei and electrons both in dynamical interaction with external environments is presented. This stochastic quantum molecular dynamics rests on a theorem that establishes a one-to-one…
We investigate the quantum dynamics of a harmonically trapped particle (e.g. an ion) that is immersed in a Bose--Einstein condensate. The ultracold environment acts as a refrigerator, and thus, the influence on the motion of the ion is…
We explore the extension of quantum cosmology outside the homogeneous approximation, using the formalism of loop quantum gravity. We introduce a model where some of the inhomogeneous degrees of freedom are present, providing a tool for…
Graph-based linear scaling electronic structure theory for quantum-mechanical molecular dynamics simulations is adapted to the most recent shadow potential formulations of extended Lagrangian Born-Oppenheimer molecular dynamics, including…
The precise characterization of dynamics in open quantum systems often presents significant challenges, leading to the introduction of various approximations to simplify a model. One commonly used strategy involves Markovian approximations,…
Spin-orbit coupling (SOC), the interaction between the spin and momentum of a quantum particle, is crucial for many important condensed matter phenomena. The recent experimental realization of SOC in neutral bosonic cold atoms provides a…
Occupation time fluctuation limits of particle systems in R^d with independent motions (symmetric stable Levy process, with or without critical branching) have been studied assuming initial distributions given by Poisson random measures…
Ehrenfest, Born-Oppenheimer, Langevin and Smoluchowski dynamics are shown to be accurate approximations of time-independent Schr\"odinger observables for a molecular system avoiding caustics, in the limit of large ratio of nuclei and…
A Lagrangian generalization of time-reversible Born-Oppenheimer molecular dynamics [Niklasson et al., Phys. Rev. Lett. vol. 97, 123001 (2006)] is proposed. The Lagrangian includes extended electronic degrees of freedom as auxiliary…
Properties of spin-1 Bose gases with ferromagnetic interaction in the presence of a nonzero magnetic field are studied. The equation of state and thermodynamic quantities are worked out with the help of a mean-field approximation. The phase…
We study magnetic traps with very high trap frequencies where the spin is coupled to the motion of the atom. This allows us to investigate how the Born-Oppenheimer approximation fails and how effective magnetic and electric fields appear as…
In this paper we give a general introduction to quantum critical phenomena, which we practically illustrate by a detailed study of the low energy properties of the spin boson model (SBM), describing the dynamics of a spin 1/2 impurity (or…
The various recent studies on the applications of the Born-Oppenheimer approach in a closed gravity matter system is examined. It is pointed out that the Born-Oppenheimer approach in the absence of an a priori time is likely to yield…
The Mori-Zwanzig projection operator formalism is a powerful method for the derivation of mesoscopic and macroscopic theories based on known microscopic equations of motion. It has applications in a large number of areas including fluid…