Related papers: Mixed quantum-classical approach to model non-adia…
We present a quantum algorithm based on repeated measurement to solve initial-value problems for nonlinear ordinary differential equations (ODEs), which may be generated from partial differential equations in plasma physics. We map a…
Nonequilibrium states of closed quantum many-body systems defy a thermodynamic description. As a consequence, constraints such as the principle of equal a priori probabilities in the microcanonical ensemble can be relaxed, which can lead to…
We consider an electronic bound state of the usual, non-relativistic, molecular Hamiltonian with Coulomb interactions, fixed nuclei, and N electrons (N>1). Near appropriate electronic collisions, we prove that the (N-1)-particle electronic…
Quantum nuclear dynamics with wavepacket time-evolution is classically intractable and viewed as a promising avenue for quantum information processing. Here, we use an IonQ 11-qubit trapped-ion quantum computer, Harmony, to study the…
Recent advances in laser technology enable to follow electronic motion at its natural time-scale with ultrafast pulses, leading the way towards atto- and femtosecond spectroscopic experiments of unprecedented resolution. Understanding of…
Effective descriptions accounting for the evolution of quantum systems that are acted on by a bath are desirable. As the number of bath degrees of freedom increases and full quantum simulations turn out computationally prohibitive, simpler…
A dynamical decoupling scheme for the deterrence of errors in the non-Markovian (usually corresponding to low temperature, short time, and strong coupling) regimes suitable for qubits constructed out of a multilevel structure is studied. We…
Adiabatic mixed quantum/classical molecular dynamics simulations were used to generate snapshots of the hydrated electron (e-) in liquid water at 300 K. Water cluster anions that include two complete solvation shells centered on the e- were…
We address the connection between negative electronic friction and non-Markovian effects in the nonadiabatic vibrational dynamics of molecules interacting with metal surfaces under nonequilibrium conditions. We show that a generic…
We show how the dynamically nonlocal formulation of classical nuclear motion in the presence of quantal electronic transitions presented many years ago by Pechukas can be localized in time using time dependent perturbation theory to give an…
Controlling dynamical fluctuations in open quantum systems is essential both for our comprehension of quantum nonequilibrium behaviour and for its possible application in near-term quantum technologies. However, understanding these…
We present various types of reduced models including five vibrational modes and three electronic states for the pyrazine molecule in order to investigate the lifetime of electronic coherence in a rigid and neutral system. Using an ultrafast…
The accurate computational study of wavepacket nuclear dynamics is considered to be a classically intractable problem, particularly with increasing dimensions. Here we present two algorithms that, in conjunction with other methods developed…
Minimal, open quantum systems that are governed by non-Hermitian Hamiltonians have been realized across multiple platforms in the past two years. Here we investigate the dynamics of open systems with Hermitian or anti-Hermitian…
The dynamical description of correlated nuclear motion is based on a set of coupled equations of motion for the one-body density matrix $\rho (11';t)$ and the two-body correlation function $c_2(12,1'2';t)$, which is obtained from the…
Characterization of non-Markovian open quantum dynamics is both of theoretical and practical relevance. In a seminal work [Phys. Rev. Lett. 120, 040405 (2018)], a necessary and sufficient quantum Markov condition is proposed, with a clear…
Starting from the Hamiltonian formulation for the inhomogeneous Mixmaster dynam- ics, we approach its quantum features through the link of the quasi-classical limit. We fix the proper operator-ordering which ensures that the WKB continuity…
We present an effective theory for describing electron dynamics driven by an optical external field in a Schr\"{o}dinger's cat state. We show that the electron density matrix evolves as an average over trajectories $\{\rho_\alpha\}$…
The symplectic structure of quantum commutators is first unveiled and then exploited to introduce generalized non-Hamiltonian brackets in quantum mechanics. It is easily recognized that quantum-classical systems are described by a…
Multi-configurational approaches yield universal wave function parameterizations that can qualitatively well describe electronic structures along reaction pathways. For quantitative results, multi-reference perturbation theory is required…