相关论文: Quantum and Structural Effects Captured via a Stat…

Inelastic collisions and elementary chemical reactions proceeding through the formation and subsequent decay of an intermediate collision complex, with an associated deep well on the potential energy surface, pose a challenge for accurate…

We present the first dataset of collisional (de)-excitation rate coefficients of HCN induced by CO, one of the main perturbing gases in cometary atmospheres. The dataset spans the temperature range of 5-50 K. It includes both state-to-state…

We use quantum and classical adiabatic capture theories to study the chemical reaction Li + CaH -> LiH + Ca. Using a recently developed ab initio potential energy surface, which provides an accurate representation of long-range interactions…

Our knowledge about the "cold" Universe often relies on molecular spectra. A general property of such spectra is that the energy level populations are rarely at local thermodynamic equilibrium. Solving the radiative transfer thus requires…

We apply a recently developed quasi-diabatic (QD) scheme to the symmetric quasi-classical (SQC) approach for accurate quantum dynamics propagation. By using the adiabatic states as the quasi-diabatic states during a short-time quantum…

We present a new approach to study the thermodynamic properties of $d$-dimensional classical systems by reducing the problem to the computation of ground state properties of a $d$-dimensional quantum model. This classical-to-quantum mapping…

The decay of photoexcited quantum systems (examples are photodissociation of molecules and autoionization of atoms) can be viewed as a half-collision process (an incoming photon excites the system which subsequently decays by dissociation…

Adiabatic transport provides a powerful way to manipulate quantum states. By preparing a system in a readily initialised state and then slowly changing its Hamiltonian, one may achieve quantum states that would otherwise be inaccessible.…

A numerical method is proposed for simulation of composite open quantum systems. It is based on Lindblad master equations and adiabatic elimination. Each subsystem is assumed to converge exponentially towards a stationary subspace, slightly…

The critical quantum metrology, which exploits the quantum phase transition for high precision measurement, has gained increasing attention recently. The critical quantum metrology with the continuous quantum phase transition, however, is…

We present a new technique for efficiently transitioning a quantum system from an initial to a final stationary state in less time than is required by an adiabatic (quasi-static) process. Our approach makes use of Nelson's stochastic…

We explore the simulation of conical intersections (CIs) on quantum devices, setting the groundwork for potential applications in nonadiabatic quantum dynamics within molecular systems. The intersecting potential energy surfaces of…

A great many observables seen in intermediate energy heavy ion collisions can be explained on the basis of statistical equilibrium. Calculations based on statistical equilibrium can be implemented in microcanonical ensemble (energy and…

The success of adiabatic quantum computation (AQC) depends crucially on the ability to maintain the quantum computer in the ground state of the evolution Hamiltonian. The computation process has to be sufficiently slow as restricted by the…

It is challenged only recently that the precision attainable in any measurement of a physical parameter is fundamentally limited by the quantum Cram\'{e}r-Rao Bound (QCRB). Here, targeting at measuring parameters in strongly dissipative…

We discuss the application of the adiabatic perturbation theory to analyze the dynamics in various systems in the limit of slow parametric changes of the Hamiltonian. We first consider a two-level system and give an elementary derivation of…

We present a new method for realizing the adiabatic connection approach in density functional theory, which is based on combining accurate variational quantum Monte Carlo calculations with a constrained optimization of the ground state…

Mixed-quantum-classical molecular dynamics simulation implies an effective measurement on the electronic states owing to continuously tracking the atomic forces.Based on this insight, we propose a quantum trajectory mean-field approach for…

We describe a general methodology for enhancing the efficiency of adiabatic quantum computations (AQC). It consists of homotopically deforming the original "Hamiltonian surface" in a way that the redistribution of the Gaussian curvature…

Adiabatic quantum computation has recently attracted attention in the physics and computer science communities, but its computational power was unknown. We describe an efficient adiabatic simulation of any given quantum algorithm, which…