Related papers: Chemical and nuclear catalysis driven by localized…

This paper explores the interplay between quantum nuclear motion and anharmonicity, which causes nontrivial effects on the structural and dynamical characteristics of silicene, a two-dimensional (2D) allotrope of silicon with interesting…

Two-photon coherent states are one of the main building pillars of non-linear and quantum optics. It is the basis for the generation of minimum-uncertainty quantum states and entangled photon pairs, applications not obtainable from standard…

Lattice degrees of freedom (DoFs) may induce quantum disorder (QD) when nuclear tunneling outvies long-range order, but conventional phonon theory is incapable of describing such QD phases. Here we develop a method based on path-integral…

Developing a deep understanding of macroscopic mechanical properties of amorphous systems which lack structural periodicity, has posed a key challenge, not only at the level of theory but also in molecular simulations. Despite significant…

We extend the recently proposed mechanism for inducing low energy nuclear reactions (LENRs) to a crystal lattice. The process gets a dominant contribution at second order in quantum perturbation theory. The tunnelling barrier is evaded due…

Single particles moving in a reflection-asymmetric potential are investigated by solving the Schr\"{o}dinger equation of the reflection-asymmetric Nilsson Hamiltonian with the imaginary time method in 3D lattice space and the harmonic…

We present a vibrational dynamical mean-field theory (VDMFT) of the dynamics of atoms in solids with anharmonic interactions. Like other flavors of DMFT, VDMFT maps the dynamics of a periodic anharmonic lattice of atoms onto those of a…

We study equilibrium time correlations for the discrete nonlinear Schr\"odinger equation on a one-dimensional lattice and unravel three dynamical regimes. There is a high temperature regime with density and energy as the only two conserved…

Hybrid Monte Carlo (HMC) simulations of lattice gauge theories with fermionic matter rely on the invertibility of the lattice Dirac operator. Near-zero modes of the latter can therefore significantly slow down the update algorithm and cause…

The Lorentz-Abraham-Dirac (LAD) equation has proved valuable in describing the motion of radiating electric charges but suffers from runaway, pre-acceleration and other ambiguities. The usual scheme is problematic because of locality, which…

In the prevalent picture of ultrafast structural phase transitions, the atomic motion occurs in a slowly varying potential energy surface determined adiabatically by the fast electrons. However, this ignores non-conservative forces caused…

The nuclei that constitute a crystalline lattice, oscillate relative to each other with a very low energy that is not sufficient to penetrate through the Coulomb barriers separating them. An additional energy, which is needed to tunnel…

Through an appropriate election of the molecular orbital basis, we show analytically that the molecular dissociation occurring in a Heyrovsky reaction can be interpreted as a Quantum Dynamical Phase Transition, i.e., an analytical…

A nonlinear kinetic equation for nonrelativistic quantum plasma with electromagnetic interaction of particles is obtained in the Hartree's mean-field approximation. It is cast in a convenient form of Vlasov-Boltzmann-type equation with…

Diamond is studied by path integral molecular dynamics simulations of the atomic nuclei in combination with a tight-binding Hamiltonian to describe its electronic structure and total energy. This approach allows us to quantify the influence…

The effects of quantum and thermal corrections on the dynamics of a damped nonlinearly kicked harmonic oscillator are studied. This is done via the Quantum Langevin Equation formalism working on a truncated moment expansion of the density…

We explore a feasibility of measuring atom-wall interaction using atomic clocks based on atoms trapped in engineered optical lattices. Optical lattice is normal to the wall. By monitoring the wall-induced clock shift at individual wells of…

We study the non-equilibrium diffusion dynamics of supersonic lattice solitons in a classical chain of atoms with nearest-neighbor interactions coupled to a heat bath. As a specific example we choose an interaction with cubic anharmonicity.…

We revisit the color-diffusion algorithm [P. C. Aeberhard et al., Phys. Rev. Lett. 108, 095901 (2012)] in nonequilibrium ab initio molecular dynamics (NE-AIMD), and propose a simple efficient approach for the estimation of monovacancy jump…

Here, we propose a platform based on ultra-cold fermionic molecules trapped in optical lattices to simulate nonadiabatic effects, as they appear in certain molecular dynamical problems. The idea consists of a judicious choice of two…