相关论文: Multistate ring polymer instantons and nonadiabati…

We discuss a simple scheme for preparing atoms and molecules in an arbitrary preselected coherent superposition of quantum states. The technique, which we call fractional stimulated Raman adiabatic passage ({\it f-STIRAP}), is based upon…

We examine the adiabatic preparation of spatially-ordered Rydberg excitations of atoms in finite one-dimensional lattices by frequency-chirped laser pulses, as realized in a number of recent experiments simulating quantum Ising model. Our…

In this paper we propose a novel decision making architecture for Robust Model Predictive Path Integral control (RMPPI) and investigate its performance guarantees and applicability to off-road navigation. Key building blocks of the proposed…

Covariant density functional theory, in the framework of self-consistent Relativistic Mean Field (RMF) and Relativistic Random Phase approximation (RPA), is for the first time applied to axially deformed nuclei. The fully self-consistent…

We study dynamics of a two-color photoassociation of atoms into diatomic molecules via nonlinear Stimulated Raman adiabatic passage (STIRAP) process. This system has a famous counterpart in (linear) quantum mechanics, and been discussed…

This paper describes a method to do ab initio molecular dynamics in electronically excited systems within the random phase approximation (RPA). Using a dynamical variational treatment of the RPA frequency, which corresponds to the…

A method is implemented to perform "fast" adiabatic variation of the spin Hamiltonian by imposing the constant adiabaticity condition. The method is applied to improve the performance of singlet-state Nuclear Magnetic Resonance (NMR)…

Path Planning for stochastic hybrid systems presents a unique challenge of predicting distributions of future states subject to a state-dependent dynamics switching function. In this work, we propose a variant of Model Predictive Path…

We generate half-excited symmetric Dicke states of two and four ions. We use multi-level stimulated Raman adiabatic passage (STIRAP) whose intermediate states are phonon Fock states. This process corresponds to the spin squeezing operation…

In this paper, a non-intrusive reduced-order model (ROM) for parametric reactor kinetics simulations is presented. Time-dependent ROMs are notoriously data intensive and difficult to implement when nonlinear multiphysics phenomena are…

There has been a problem of gauge ambiguities with the Rabi Hamiltonian due to the fact that it can be derived from two formally different but physically equivalent fundamental Hamiltonians. This problem has recently been resolved for…

We propose a new quantum transition-state theory for calculating Fermi's golden-rule rates in complex multidimensional systems. This method is able to account for the nuclear quantum effects of delocalization, zero-point energy and…

Here, we report on the nonlinear ionization of argon atoms in the short wavelength regime using ultraintense x rays from the European XFEL. After sequential multiphoton ionization, high charge states are obtained. For photon energies that…

Fermi's golden rule describes the leading-order behaviour of the reaction rate as a function of the diabatic coupling. Its asymptotic $(\hbar \rightarrow 0)$ limit is the semiclassical golden-rule instanton rate theory, which rigorously…

The implementation of static artificial magnetic fields in ultracold atomic systems has become a powerful tool, e.g. for simulating quantum-Hall physics with charge-neutral atoms. Taking an interacting bosonic flux ladder as a minimal…

Coherent manipulation of quantum states is of crucial importance in accurate control of a quantum system. A fundamental goal is coherently transferring the population of a desired state with near-unit fidelity. For this propose, we…

The mapping approach addresses the mismatch between the continuous nuclear phase space and discrete electronic states by creating an extended, fully continuous phase space using a set of harmonic oscillators to encode the populations and…

Path Integral Molecular Dynamics (PIMD) is a well established simulation technique to compute exact equilibrium properties for a quantum system using classical trajectories in an extended phase space. Standard PIMD simulations are…

The ring-polymer instanton approach is applied to compute the ground-state tunnelling splitting of four isotopomers of the formic acid dimer using the accurate PES of Qu and Bowman [Phys. Chem. Chem. Phys., 2016, 18, 24835]. As well as…

An exact approach to compute physical properties for general multi-electronic-state (MES) systems in thermal equilibrium is presented. The approach is extended from our recent progress on path integral molecular dynamics (PIMD) [J. Chem.…