相关论文: Quantum Nonadiabatic Cloning of Entangled Coherent…

Methods of quantum nuclear wave-function dynamics have become very efficient in simulating large isolated systems using the time-dependent variational principle (TDVP). However, a straightforward extension of the TDVP to the density matrix…

The evolution of squeezed coherent states (CSs) of motion for trapped ions is investigated by applying the time dependent variational principle (TDVP) for the Schr\"{o}dinger equation. The method is applied in case of Paul and combined…

It was recently shown [G. Albareda, et al., Phys. Rev. Lett. 113, 083003 (2014)] that within the conditional decomposition approach to the coupled electron-nuclear dynamics, the electron-nuclear wave function can be exactly decomposed into…

Relaxation of few-body quantum systems can strongly depend on the initial state when the system's semiclassical phase space is mixed, i.e., regions of chaotic motion coexist with regular islands. In recent years, there has been much effort…

The projection of time-dependent variational principle (TDVP) for matrix product states enables us to perform long-time simulations of one-dimensional quantum systems with the conservation of the total energy and the norm of wave functions.…

Understanding the emergent system-bath correlations in non-Markovian and non-perturbative open systems is a theoretical challenge that has benefited greatly from the application of Matrix Product State (MPS) methods. Here, we propose an…

Neural quantum states have recently demonstrated significant potential for simulating quantum dynamics beyond the capabilities of existing variational ans\"{a}tze. However, studying strongly driven quantum dynamics with neural networks has…

We review techniques for simulating fully quantum nonadiabatic dynamics using the frozen-width moving Gaussian basis functions to represent the nuclear wavefunction. A choice of these basis functions is primarily motivated by the idea of…

Spectral properties of the Hamiltonian function which characterizes a trapped ion are investigated. In order to study semiclassical dynamics of trapped ions, coherent state orbits are introduced as sub-manifolds of the quantum state space,…

We study the time evolution of long quantum spin chains subjected to continuous monitoring via matrix product states (MPS) at fixed bond dimension, with the Time-Dependent Variational Principle (TDVP) algorithm. The latter gives an…

On-the-fly quantum nonadiabatic dynamics for large systems greatly benefits from the adiabatic representation readily available from the electronic structure programs. However, frequently occurring in this representation conical…

We propose a nonadiabatic time-dependent spin-density functional theory (TDSDFT) approach for studying the single-electron excited states and the ultrafast response of systems with strong electron correlations. The correlations are…

We present an approach for carrying out non-adiabatic molecular dynamics simulations of systems in which non-adiabatic transitions arise from the coupling between the classical atomic motions and a quasi-continuum of electronic quantum…

We build on the concept of eigenvector continuation to develop an efficient multi-state method for the rigorous and smooth interpolation of a small training set of many-body wavefunctions through chemical space at mean-field cost. The…

The combined quantum electron-nuclear dynamics is often associated with the Born-Huang expansion of the molecular wave function and the appearance of nonadiabatic effects as a perturbation. On the other hand, native multicomponent…

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…

We consider the quantum cloning of continuous variable entangled states. This is achieved by introducing two symmetric entanglement cloning machines (or e-cloners): a local e-cloner and a global e-cloner; where we look at the preservation…

Coupled cluster theory is one of the most accurate electronic structure methods for predicting ground and excited state chemistry. However, the presence of numerical artifacts at electronic degeneracies, such as complex energies, has made…

We present an implementation of a time-dependent multiconfiguration self-consistent-field (TD-MCSCF) method [R. Anzaki et al., Phys. Chem. Chem. Phys. 19, 22008 (2017)] with the full configuration interaction expansion for coupled…

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…