相关论文: A variational surface hopping algorithm for the su…
We propose a ground-state ansatz for the Ohmic spin-boson model that improves upon the variational treatment of Silbey and Harris for biased systems in the scaling limit. In particular, it correctly captures the smooth crossover behaviour…
In recent years, the time-dependent variational principle (TDVP) method based on the matrix product state (MPS) wave function formulation has shown its great power in performing large-scale quantum dynamics simulations for realistic…
Dynamical decoupling is a technique aimed at suppressing the interaction between a quantum system and its environment by applying frequent unitary operations on the system alone. In the present paper, we analytically study the dynamical…
A generalized trial wave function termed as the "multi-D1 Ansatz" has been developed to study the ground state of the spin-boson model with simultaneous diagonal and off-diagonal coupling in the sub-Ohmic regime. Ground-state properties…
We present the Basin Hopping with Skipping (BH-S) algorithm for stochastic optimisation, which replaces the perturbation step of basin hopping (BH) with a so-called skipping proposal from the rare-event sampling literature. Empirical…
We adapted the SWAP molecular dynamics algorithm for use in lattice Ising spin models. We dressed the spins with a randomly distributed length and we alternated long-range spin exchanges with conventional single spin flip Monte Carlo…
A class of surface hopping algorithms is studied comparing two recent Landau-Zener (LZ) formulas for the probability of nonadiabatic transitions. One of the formulas requires a diabatic representation of the potential matrix while the other…
Spin measurement is studied as a unitary time evolution of the spin coupled to an environment representing the meter and the apparatus. Modelling the environment as a heat bath comprising only a finite number of boson modes and represented…
Recently, the mapping approach to surface hopping (MASH) was proposed as a method to simulate the non-adiabatic dynamics of two-level systems. It was shown that the method possesses many desirable qualities, both theoretically and through…
We present a dynamic subspace approach for efficiently approximating large-scale systems by learning time-continuous trajectories on the Grassmannian manifold. By parameterizing a low-dimensional basis as a geodesic path, the method allows…
Associative memory Hamiltonian structure prediction potentials are not overly rugged, thereby suggesting their landscapes are like those of actual proteins. In the present contribution we show how basin-hopping global optimization can…
The spin-boson (SB) model is a standard prototype for quantum dissipation, which we generalize in this work, to explore the dissipative effects on a one-dimensional spin-orbit (SO) coupled particle in the presence of a sub-ohmic bath. We…
Fewest-switches surface hopping is studied in the context of quantum-classical Liouville dynamics. Both approaches are mixed quantum-classical theories that provide a way to describe and simulate the nonadiabatic quantum dynamics of…
An extension of the CCS-method [Chem. Phys. 2004, 304, p. 103-120] for simulating non-adiabatic dynamics with quantum effects of the nuclei is put forward. The time-dependent Schr\"{o}dinger equation for the motion of the nuclei is solved…
The powerful molecular dynamics (MD) simulation is basically based on a picture that the atoms experience classical-like trajectories under the exertion of classical force field determined by the quantum mechanically solved electronic…
In this paper, we will study the statistical behaviors of orbits. Firstly, we will show that for a dynamical systems have the shadowing property or almost specification property, the set of nonrecurrent points has full topological entropy.…
The influence of dissipation on quantum tunneling in the spin-boson model with a sub-Ohmic bath is studied by a variational calculation. By examining the evolution of solutions of the variational equation with the coupling strength near the…
Periodic one dimensional hopping model is useful to study the motion of microscopic particles, which lie in thermal noise environment. The mean velocity $V_N$ and diffusion constant $D_N$ of this model have been obtained by Bernard Derrida…
Interacting spin-boson models encompass a large class of physical systems, spanning models with a single spin interacting with a bosonic bath -- a paradigm of quantum impurity problems -- to models with many spins interacting with a cavity…
Nonadiabatic dynamics methods are an essential tool for investigating photochemical processes. In the context of employing first principles electronic structure techniques, such simulations can be carried out in a practical manner using…