English
Related papers

Related papers: A Phase-Space Semiclassical Approach for Modeling …

200 papers

Exceptional points (EPs) have attracted extensive research interest due to their intriguing properties. One of the hallmarks of EP physics is that dynamically encircling the EPs induces chiral mode switching, arising from the breakdown of…

A novel mixed quantum-classical approach to simulating nonadiabatic dynamics of molecules at metal surfaces is presented. The method combines the numerically exact hierarchical equations of motion approach for the quantum electronic degrees…

Mesoscale and Nanoscale Physics · Physics 2024-05-06 Samuel L. Rudge , Christoph Kaspar , Robin L. Grether , Steffen Wolf , Gerhard Stock , Michael Thoss

Trajectory-based mixed quantum-classical approaches to coupled electron-nuclear dynamics suffer from well-studied problems such as the lack of (or incorrect account for) decoherence in the trajectory surface hopping method and the inability…

Quantum Physics · Physics 2016-02-29 Federica Agostini , Seung Kyu Min , Ali Abedi , E. K. U. Gross

We investigate a simple and robust scheme for choosing the phases of adiabatic electronic states smoothly (as a function of geometry) so as to maximize the performance of ab initio non-adiabatic dynamics methods. Our approach is based upon…

Chemical Physics · Physics 2019-09-26 Zeyu Zhou , Zuxin Jin , Tian Qiu , Andrew M. Rappe , Joseph Eli Subotnik

The recent improvement in experimental capabilities for interrogating and controlling molecular systems with ultrafast coherent light sources calls for the development of theoretical approaches that can accurately and efficiently treat…

Chemical Physics · Physics 2024-08-20 Jonathan R. Mannouch , Aaron Kelly

We describe a path-integral approach for including nuclear quantum effects in non-adiabatic chemical dynamics simulations. For a general physical system with multiple electronic energy levels, a corresponding isomorphic Hamiltonian is…

Statistical Mechanics · Physics 2018-06-05 Xuecheng Tao , Philip Shushkov , Thomas Miller

We develop a scheme of fast forward of adiabatic spin dynamics of quantum entangled states. We settle the quasi-adiabatic dynamics by adding the regularization terms to the original Hamiltonian and then accelerate it with use of a large…

Quantum Physics · Physics 2018-05-25 Iwan Setiawan , Bobby Eka Gunara , Shumpei Masuda , Katsuhiro Nakamura

We present an approach for eliminating the gauge freedom for derivative couplings in nonadiabatic dynamics in the presence of geometric phase effects. This approach relies on a bottom-up construction of a parametric quantum Hamiltonian in…

Chemical Physics · Physics 2023-04-18 Alex Krotz , Roel Tempelaar

We derive the general formula giving the Berry phase for an arbitrary spin, having both magnetic-dipole and electric-quadrupole couplings with external time-dependent fields. We assume that the effective E and B fields remain orthogonal…

Quantum Physics · Physics 2015-05-19 Marie-Anne Bouchiat , Claude Bouchiat

We investigate both pure and mixed states Floquet dynamical quantum phase transition (DQPT) in the periodically time-dependent extended XY model. We exactly show that the proposed Floquet Hamiltonian of interacting spins can be expressed as…

Statistical Mechanics · Physics 2020-11-03 Sara Zamani , R. Jafari , A. Langari

High control in the preparation and manipulation of states is an experimental and theoretical important task in many quantum protocols. Shortcuts to adiabaticity methods allow to obtain desirable states of a adiabatic dynamics but in short…

Quantum Physics · Physics 2024-10-28 Jonas F. G. Santos

We present a detailed derivation and numerical tests of a new mixed quantum-classical scheme to deal with non-adiabatic processes. The method is presented as the zero-th order approximation to the exact coupled dynamics of electrons and…

Chemical Physics · Physics 2015-06-22 Federica Agostini , Ali Abedi , E. K. U. Gross

An exact solution is derived for the wave function of an electron in a semiconductor quantum wire with spin-orbit interaction and driven by external time dependent harmonic confining potential. The formalism allows analytical expressions…

Quantum Physics · Physics 2015-06-11 T. Cadez , J. H. Jefferson , A. Ramsak

This work identifies geometric effects on dynamics due to nonadiabatic couplings in Born Oppenheimer systems and provides a systematic method for deriving corrections to mixed quantum-classical methods. Specifically, an exact path integral…

Chemical Physics · Physics 2007-05-23 Vinod Krishna

Nontrivial spectral properties of non-Hermitian systems can give rise to intriguing effects that lack counterparts in Hermitian systems. For instance, when dynamically varying system parameters along a path enclosing an exceptional point…

We present an approximate semiclassical (SC) framework for mixed quantized dynamics in Wigner phase space in a two-part series. In the first article, we introduced the Adiabatic Hybrid Wigner Dynamics (AHWD) method that allows for a few…

Chemical Physics · Physics 2024-09-06 Shreyas Malpathak , Nandini Ananth

It is well known that any cyclic solution of a spin 1/2 neutral particle moving in an arbitrary magnetic field has a nonadiabatic geometric phase proportional to the solid angle subtended by the trace of the spin. For neutral particles with…

Quantum Physics · Physics 2009-11-07 Qiong-gui Lin

In the paper we derive a semiclassical model for surface hopping allowing quantum dynamical non-adiabatic transition between different potential energy surfaces in which cases the classical Born-Oppenheimer approximation breaks down. The…

Numerical Analysis · Mathematics 2014-05-06 Lihui Chai , Shi Jin , Qin Li , Omar Morandi

The techniques of shortcuts to adiabaticity have been proposed to accelerate the "slow" adiabatic processes in various quantum systems with the applications in quantum information processing. In this paper, we study the counter-diabatic…

Quantum Physics · Physics 2026-01-13 Yue Ban , Xi Chen

We propose and solve a minimal model of dynamic passage through a second-order phase transition in the presence of symmetry breaking interactions and no dissipation. Our model generalizes the Hamiltonian dynamics of the Painleve'-2 equation…

Quantum Physics · Physics 2025-03-27 Bhavay Tyagi , Fumika Suzuki , Vladimir A. Chernyak , Nikolai A. Sinitsyn