相关论文: Compactness of molecular reaction paths in quantum…
This article focuses on isomerizations of molecules, i.e. chemical reactions during which a molecule is transformed into another one with the same atoms in a different spatial configuration. We consider the special case in which the system…
A lot of progress has been made in recent times for simulating accurately the ground state energy of small molecules and their potential energy surface, using quantum-classical hybrid computing architecture. While these single point energy…
Homogeneous nucleation of a new phase near an Ising-like critical point of another phase transition is studied. A scaling analysis shows that the free energy barrier to nucleation contains a singular term with the same scaling as the order…
The internal motion in a molecule, in which isomerization processes occur, is characterized by two essentially different modes of motion - oscillatory and rotational. The quantum equation of motion which describes an isomerization process…
We study the localization transitions which arise in both one and two dimensions when quantum mechanical particles described by a random Schr\"odinger equation are subjected to a constant imaginary vector potential. A path-integral…
The p-Laplace operator in the entire N-dimensional Euclidean space, subject to external electromagnetic potentials, is investigated. In the general case 1<p<N, the existence of at least one solution of mountain pass type to a weighted…
Preserving quantum coherence with the increase of a system's size and complexity is a major challenge. Molecules, with their diverse sizes and complexities and many degrees of freedom, are an excellent platform for studying the transition…
We derive a master equation for the motion of a polarizable particle weakly interacting with one or several strongly pumped cavity modes. We focus here on massive particles with complex internal structure such as large molecules and…
Clustering of the four-nucleon system at kinetic freezeout conditions is studied using path-integral Monte Carlo techniques. This method seeks to improve upon previous calculations which relied on approximate semiclassical methods or…
We present a path - integral approach to treat a 2D model of a quantum bifurcation. The model potential has two equivalent minima separated by one or two saddle points, depending on the value of a continuous parameter. Tunneling is…
We consider the application of Kramers theory to the microscopic calculation of rates of conformational transitions of macromolecules. The main difficulty in such an approach is to locate the transition state in a huge configuration space.…
A quasi classical approximation to quantum mechanical scattering in the Moeller formalism is developed. While keeping the numerical advantage of a standard Classical--Trajectory--Monte--Carlo calculation, our approach is no longer…
We discuss a pair of isoperimetric problems which at a glance seem to be unrelated. The first one is classical: one places $N$ identical point charges at a closed curve $\Gamma$ at the same arc-length distances and asks about the energy…
We introduce a transverse field Ising model with order N^2 spins interacting via a nonlocal quartic interaction. The model has an O(N,Z), hyperoctahedral, symmetry. We show that the large N partition function admits a saddle point in which…
Electrical transport properties near an electronic Ising-nematic quantum critical point in two dimensions are of both theoretical and experimental interest. In this work, we derive a kinetic equation valid in a broad regime near the quantum…
In this paper we propose an ab initio method to solve quantum many-body problems of molecular dynamics where both the electronic and the nuclear degrees are represented by ensembles of trajectories and guiding waves in physical space. Both…
The Einstein action for the gravitational field has some properties which make of it, after quantization, a rare prototype of systems with quantum configurations that do not have a classical analogue. Assuming spherical symmetry in order to…
We study the quantum walk of two interacting particles on a line with an interface separating two topologically distinct regions. The interaction induces a localization-delocalization transition of the edge state at the interface. We…
Characterizing thermally activated transitions in high-dimensional rugged energy surfaces is a very challenging task for classical computers. Here, we develop a quantum annealing scheme to solve this problem. First, the task of finding the…
The ionization dynamics of a hydrogen molecule, serving as a fundamental benchmark in quantum chemistry, is investigated within a comprehensive framework combining quantum electrodynamics and the Lindblad master equation. This approach…