Related papers: Preferred Basis in Coupled Electron-Nuclear Dynami…

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…

Coupled trajectory mixed quantum classical (CTMQC) dynamics is a rigorous approach to trajectory-based non-adiabatic dynamics, which has recently seen an improvement to energy conservation via the introduction of the CTMQC-E algorithm.…

The effect of decoherence is analysed for a free particle, interacting with an environment via a dissipative coupling. The interaction between the particle and the environment occurs by a coupling of the position operator of the particle…

Decoherence of quantum systems from entanglement with an unmonitored environment is to date the most compelling explanation of the emergence of a classical picture from a quantum world. While it is well understood for a single Lindblad…

We propose an excited-state molecular dynamics simulation method based on variational quantum algorithms at a computational cost comparable to that of ground-state simulations. We utilize the feature that excited states can be obtained as…

We discuss a model for quantum computing with initially mixed states. Although such a computer is known to be less powerful than a quantum computer operating with pure (entangled) states, it may efficiently solve some problems for which no…

We develop a unified quantum geometric framework to understand reactive quantum dynamics. The critical roles of the quantum geometry of adiabatic electronic states in both adiabatic and non-adiabatic quantum dynamics are unveiled. A…

In orthodox quantum theory, decoherence is presumed to be caused by observation. In this paper, the idea of replacing observation, as the cause of decoherence, with rules derived from the dynamics of the system is addressed. Such rules…

For a single degree of freedom confined mechanical system with given energy, we know that the motion is always periodic and action-angle variables are convenient choice as conjugate phase-space variables. We construct action-angle coherent…

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…

One of the challenges of the Environment-Induced Decoherence (EID) approach is to provide a simple general definition of the moving pointer basis or moving preferred basis. In this letter we prove that the study of the poles that produce…

Accelerating quantum dynamical simulations with quantum computing has received considerable attention but remains a significant challenge. In variational quantum algorithms for quantum dynamics, designing an expressive and shallow-depth…

The coherent control of multi-partite quantum systems presents one of the central prerequisites in state-of-the-art quantum information processing. With the added benefit of inherent high-fidelity detection capability, atomic quantum…

A quantum framework, according quantum theories of electromagnetic (EM)radiation to matter response, leads to a handy scheme addressed to examine both physical and chemical processes. Fundamental quantum effects such asentanglement,…

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…

The precise characterization of dynamics in open quantum systems often presents significant challenges, leading to the introduction of various approximations to simplify a model. One commonly used strategy involves Markovian approximations,…

Neural quantum states (NQS) provide a flexible and highly expressive parameterization of wave functions for strongly correlated problems in quantum chemistry. Despite rapid advances in network architectures, the evaluation of electronic…

We investigate the performance of dynamical decoupling methods at suppressing electron spin decoherence from a low-temperature nuclear spin reservoir in a quantum dot. The controlled dynamics is studied through exact numerical simulation,…

We study the emergence and dynamics of pointer states in the motion of a quantum test particle affected by collisional decoherence. These environmentally distinguished states are shown to be exponentially localized solitonic wave functions…

The Coupled Cluster (CC) method is used to compute the electronic correlation energy in atoms and molecules and often leads to highly accurate results. However, due to its single-reference nature, standard CC in its projected form fails to…