Related papers: Electronic quantum trajectories with quantum nucle…
Quantum trajectories, originating from the de Broglie-Bohm (dBB) hydrodynamic description of quantum mechanics, are used to construct time-correlation functions in an initial value representation (IVR). The formulation is fully quantum…
Process of quantum tunneling of particles in various physical systems can be effectively controlled even by a weak and slow varying in time electromagnetic signal if to adapt specially its shape to a particular system. During an…
Describing the dynamics of nuclei in molecules requires a potential energy surface, which is traditionally provided by the Born-Oppenheimer or adiabatic approximation. However, we also need to assign masses to the nuclei. There, the…
Quantum trajectories defined in the de Broglie--Bohm theory provide a causal way to interpret physical phenomena. In this Letter, we use this formalism to analyze the short time dynamics induced by unstable periodic orbits in a classically…
The random walk formalism is used across a wide range of applications, from modelling share prices to predicting population genetics. Likewise quantum walks have shown much potential as a frame- work for developing new quantum algorithms.…
Major players in the global aerospace industry are shifting their focus toward achieving net carbon-neutral operations by 2050. A considerable portion of the overall carbon emission reduction is expected to come from new aircraft…
Understanding the reactivity and spectroscopy of aqueous solutions at the atomistic level is crucial for the elucidation and design of chemical processes. However, the simulation of these systems requires addressing the formidable…
Quantum walks constitute a rich area of quantum information science, where multipartite entanglement plays a central role in the dynamics and scalability of quantum advantage over classical simulators. In this work, we study the…
The development and implementation of increasingly accurate methods for electronic structure calculations mean that, for many atomistic simulation problems, treating light nuclei as classical particles is now one of the most serious…
The question of the representation of quantum stationary partially polarized waves as random superpositions of different polarization ellipses is addressed. To this end, the Bohmian formulation of quantum mechanics is considered and…
Over the past decades, atomistic simulations of chemical, biological and materials systems have become increasingly precise and predictive thanks to the development of accurate and efficient techniques that describe the quantum mechanical…
The ability to perform ab initio molecular dynamics simulations using potential energies calculated on quantum computers would allow virtually exact dynamics for chemical and biochemical systems, with substantial impacts on the fields of…
Solving the electronic Schr\"odinger equation for changing nuclear coordinates provides access to the Born-Oppenheimer potential energy surface. This surface is the key starting point for almost all theoretical studies of chemical processes…
The local conservation of a physical quantity whose distribution changes with time is mathematically described by the continuity equation. The corresponding time parameter, however, is defined with respect to an idealized classical clock.…
Quantum Brownian motion in a periodic cosine potential is studied and a simple estimate of the tunneling effect is obtained in the frames of a quasi-equilibrium semiclassical approach. It is shown that the latter is applicable for heavy…
Many nonlinear quantum phenomena of intense laser-atom physics can be intuitively explained with the concept of trajectory. In this paper, Bohmian mechanics (BM) is introduced to study a multiphoton process of atoms interacting with the…
Quantum walks can reconstruct quantum algorithms for quantum computation, where the precise controls of quantum state transfers between arbitrary distant sites are required. Here, we investigate quantum walks using a periodically…
Entropic Dynamics is a framework for deriving the laws of physics from entropic inference. In an (ED) of particles, the central assumption is that particles have definite yet unknown positions. By appealing to certain symmetries, one can…
We make and generalize the observation that summing of probability amplitudes of a discrete-time quantum walk over partitions of the walking graph consistent with the step operator results in a unitary evolution on the reduced graph which…
Proton-coupled electron transfers (PCET) are elementary steps in electrocatalysis. However, accurate calculations of PCET rates remain challenging, especially considering nuclear quantum effects (NQEs) under a constant potential condition.…