Related papers: Fully quantum non-adiabatic dynamics in electronic…
The rotating-wave approximation to light-matter interactions is widely used in the quantum electrodynamics Hamiltonian; however, its validity has long been a matter of debate. In this article, we explore the impact of the rotating-wave…
Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these…
We perform on-the-fly non-adiabatic molecular dynamics simulations using the symmetrical quasi-classical (SQC) approach with the recently suggested molecular Tully models: ethylene and fulvene. We attempt to provide benchmarks of the SQC…
We derive the exact out-of-equilibrium Wigner function of a bosonic mode linearly coupled to a bosonic bath of arbitrary spectral density. Our solution does not rely on any master equation approach and it therefore also correctly describes…
Quantum computing employs controllable interactions to perform sequences of logical gates and entire algorithms on quantum registers. This paradigm has been widely explored, e.g., for simulating dynamics of manybody systems by decomposing…
We investigate the adiabatic approximation to the exact-exchange kernel for calculating correlation energies within the adiabatic-connection fluctuation-dissipation framework of time-dependent density functional theory. A numerical study is…
A time-dependent theory for the interactions between spatially separated lossy cavities in a homogeneous background medium using quantized quasinormal modes (QNMs) is presented. The cavities interact via a bath of traveling photons,…
Starting from the geometric description of quantum systems, we propose a novel approach to time-independet dissipative quantum processes according to which the energy is dissipated but the coherence of the states is preserved. Our proposal…
Nonadiabatic corrections in molecules composed of a few atoms are considered. It is demonstrated that a systematic perturbative expansion around the adiabatic solution is possible, with the expansion parameter being the electron-nucleus…
A novel method of coherent manipulation of the electron tunneling in quantum-dots is proposed, which utilizes the quantum interference in nonadiabatic double-crossing of the discrete energy levels. In this method, we need only a smoothly…
Every physical regime is some sort of approximation of reality. One lesser-known realm that is the semiquantal regime, which may be used to describe systems with both classical and quantum subcomponents. In the present review, we discuss…
A formalism is presented in which quantum particle dynamics can be developed on its own rather than `quantization' of an underlying classical theory. It is proposed that the unification of probability and dynamics should be considered as…
We generalise the non-affine theory of viscoelasticity for use with large, well-sampled systems of arbitrary chemical complexity. Having in mind predictions of mechanical and vibrational properties of amorphous systems with atomistic…
Processes related to electronically excited states are central in many areas of science, however accurately determining excited-state energies remains a major challenge in theoretical chemistry. Recently, higher energy stationary states of…
Variational methods have offered controllable and powerful tools for capturing many-body quantum physics for decades. The recent introduction of expressive neural network quantum states has enabled the accurate representation of a broad…
This work introduces a novel approach to quantum simulation by leveraging continuous-variable systems within a photonic hardware-inspired framework. The primary focus is on simulating static properties of the ground state of Hamiltonians…
We consider interactions of exact (i.e., solutions of full nonlinear field equations) gravitational waves with matter by using the Einstein-Boltzmann equation. For a gravitational wave interacting with a system of massless particles, we…
Recently, a self-contained trajectory-based formulation of non-relativistic quantum mechanics was developed [Ann. Phys. 315, 505 (2005); Chem. Phys. 370, 4 (2010); J. Chem. Phys. 136, 031102 (2012)], that makes no use of wavefunctions or…
We introduce mapping-variable ring polymer molecular dynamics (MV-RPMD), a model dynamics for the direct simulation of multi-electron processes. An extension of the RPMD idea, this method is based on an exact, imaginary time path-integral…
A new approach to simulating warm and hot dense matter that combines density functional theory based calculations of the electronic structure to classical molecular dynamics simulations with pair interaction potentials is presented. The new…