Related papers: Bohmian pathways into chemistry: A brief overview
Using the tools of nonstandard analysis, we develop and present an alternative formulation of Bohmian mechanics. This approach allows one to describe a broader assortment of physical systems than the standard formulation of the theory. It…
We develop a general formulation of quantum statistical mechanics in terms of probability currents that satisfy continuity equations in the multi-particle position space, for closed and open systems with a fixed number of particles. The…
Quantum Mechanics is a good example of a successful theory. Most of atomic phenomena are described well by quantum mechanics and cases such as Lamb Shift that are not described by quantum mechanics, are described by quantum electrodynamics.…
The use of Bohmian mechanics as a practical tool for modeling non-relativistic quantum phenomena of matter provides clear evidence of its success, not only as a way to interpret the foundations of quantum mechanics, but also as a…
These lectures are intended as an introduction to the technique of path integrals and their applications in physics. The audience is mainly first-year graduate students, and it is assumed that the reader has a good foundation in quantum…
One of the most promising suggested applications of quantum computing is solving classically intractable chemistry problems. This may help to answer unresolved questions about phenomena like: high temperature superconductivity, solid-state…
Computational chemistry at the atomic level has largely branched into two major fields, one based on quantum mechanics and the other on molecular mechanics using classical force fields. Because of high computational costs, quantum…
A complete theoretical treatment in many problems relevant to physics, chemistry, and biology requires considering the action of the environment over the system of interest. Usually the environment involves a relatively large number of…
Recent realization of an intense quantum light, namely bright squeezed vacuum, opened a new perspective on quantum light-matter interaction. Several theoretical works have appeared based on coherent state expansions of quantum state of…
The paper points out that the modern formulation of Bohm's quantum theory known as Bohmian mechanics is committed only to particles' positions and a law of motion. We explain how this view can avoid the open questions that the traditional…
Molecular quantum chemistry has seen enormous progress in the last few decades thanks to the more advanced and sophisticated numerical techniques and computing power. Following the recent interest in extending these capabilities to…
For decades, computational chemistry has been posited as one of the areas in which quantum computing would revolutionize. However, the algorithmic advantages that fault-tolerant quantum computers have for chemistry can be overwhelmed by…
This thesis investigates geometric approaches to quantum hydrodynamics (QHD) in order to develop applications in theoretical quantum chemistry. Based upon the momentum map geometric structure of QHD and the associated Lie-Poisson and…
In this review, we highlight recent developments in the application of machine learning for molecular modeling and simulation. After giving a brief overview of the foundations, components, and workflow of a typical supervised learning…
Quantum systems in specific regimes display recurrences at the period of the periodic orbits of the corresponding classical system. We investigate the excited hydrogen atom in a magnetic field -- a prototypical system of 'quantum chaos' --…
In this review we deal with open (dissipative and stochastic) quantum systems within the Bohmian mechanics framework which has the advantage to provide a clear picture of quantum phenomena in terms of trajectories, originally in…
A nonlinear quantum-classical transition wave equation is proposed for dissipative systems within the Caldirola-Kanai model. Equivalence of this transition equation to a scaled Schr\"{o}dinger equation is proved. The dissipative dynamics is…
Starting with the exact factorization of the molecular wavefunction, this paper presents the results from the numerical implementation in nonadiabatic molecular dynamics of the recently proposed bohmion method. Within the context of quantum…
Bohmian mechanics is a deterministic theory of quantum mechanics that is based on a set of n velocity functions for n particles, where these functions depend on the wavefunction from the n-body time-dependent Schroedinger equation. It is…
The internal dynamics of strongly interacting systems and that of biomolecules such as proteins display several important analogies, despite the huge difference in their characteristic energy and length scales. For example, in all such…