Related papers: Dynamics on Multiple Potential Energy Surfaces: Qu…
We present a combination of theoretical calculations and experiments for the low-lying vibrational excitations of H and D atoms adsorbed on the Pt(111) surface. The vibrational band states are calculated based on the full three-dimensional…
We present quantum dynamical calculations that describe the rotational excitation of H$_2$O due to collisions with H atoms. We used a recent, high accuracy potential energy surface, and solved the collisional dynamics with the…
Quantum phase transitions occur at zero temperature, when the ground state of a Hamiltonian undergoes a qualitative change as a function of a control parameter. We consider a particularly interesting system with competing one-, two- and…
In the vast majority of many-body problems, it is the kinetic energy part of the Hamiltonian that is best known microscopically, and it is the detailed form of the interactions between the particles, the potential energy term, that is…
Simulating complex many-body quantum phenomena is a major scientific impetus behind the development of quantum computing, and a range of technologies are being explored to address such systems. We present the results of the largest…
We simulate the space-time dynamics of high-energy collisions based on a microscopic kinetic description in the conformal relaxation time approximation, in order to determine the range of applicability of an effective description in…
A new model of quantum mechanics, Classical Quantum Mechanics, is based on the (nearly heretical) postulate that electrons are physical objects that obey classical physical laws. Indeed, ionization energies, excitation energies etc. are…
A detailed study of orbital and radial excited states in D, Ds, B and B_s systems is performed. The chiral quark model provides the framework for the calculation of pseudoscalar meson (pi, K, ...) hadronic transitions among heavy-light…
Temporal evolutions toward thermal equilibria are numerically investigated in a Hamiltonian system with many degrees of freedom which has second order phase transition. Relaxation processes are studied through local order parameter, and…
Calculation of the rotation-vibration spectrum of H3+, as well as of its deuterated isotopologues, with near-spectroscopic accuracy requires the development of sophisticated theoretical models, methods, and codes. The present paper reviews…
We present a novel approach to kinetic theory modeling enabling the simulation of a generic, real gas presented by its corresponding equation of state. The model is based on mass, momentum and energy conservation, and unlike the lattice…
By the use of the variational method with exponential trial functions the upper and lower bounds of energy are calculated for a number of non-relativistic three-body Coulomb and nuclear systems. The formulas for calculation of upper and…
Quantum-mechanical close-coupling calculations for state-to-state cross sections and thermal rates are reported for H2+H2 collisions. Two recently developed potential energy surfaces (PES) for the H2-H2 system are applied, namely, the…
We study heating rates in strongly interacting quantum lattice systems in the thermodynamic limit. Using a numerical linked cluster expansion, we calculate the energy as a function of the driving time and find a robust exponential regime.…
1H spin-lattice relaxation experiments have been performed for water - Bovine Serum Al-bumin (BSA) mixtures including 20% wt and 40% wt of BSA. The experiments have been carried out in a frequency range encompassing three orders of…
We apply the energy surface method to study a system of Na three-level atoms interacting with a one-mode radiation field in the \Xi, \Lambda and V configurations. We obtain an estimation of the ground-state energy, the expectation value of…
The aim of this paper is to calculate the time dependence of the mean position (and orientation) of a fluid particle when a fluid system at thermodynamic equilibrium is submitted to a mechanical action. The starting point of this novel…
Magnetic nanoparticle hyperthermia is an attractive emerging cancer treatment, but the acting microscopic energy deposition mechanisms are not well understood and optimization suffers. We describe several approximate forms for the…
Quantum thermodynamics addresses the dynamics of heat flow in quantum devices driven out of equilibrium. Although mesoscopic circuits at low temperatures provide a flexible platform to explore this dynamics, experimental studies are wanting…
Nonequilibrium dynamics of quantum many-body systems is challenging for classical computing, providing opportunities for demonstrating practical quantum computational advantage with analogue quantum simulators. Owing to the intimate…