Related papers: An efficient statistical method to compute molecul…
Krstic has carried out the first quantum mechanical calculations near threshold for the charge transfer (CT) process H^+ + H_2(X ^1Sigma_g^+, nu=0, J=0) --> H(1s) + H_2^+. These results are relevant for models of primordial galaxy and first…
Nitric oxide is an open-shell molecule abundantly detected in the interstellar medium. A precise modeling of its radiative and collisional processes opens the path to a precise estimate of its abundance. We present here the first rate…
The reaction dynamics of O(3P) + O2(3Sigma_g-) collisions in the O3(1A') electronic ground state is characterized on a high-level MRCI+Q/aug-cc-pVQZ potential energy surface represented as a reproducing kernel. For the atom exchange…
The collisional stability of ultracold polar molecules in electrostatic traps is considered. Rate constants for collisions that drive molecules from weak-field-seeking to strong-field-seeking states are estimated using a simple model. The…
To control and utilize quantum features in small scale for practical applications such as quantum transport, it is crucial to gain deep understanding of quantum characteristics of states such as coherence. Here by introducing a technique…
Optical spectroscopy of molecular radicals is an important tool in physical chemistry, and is a prerequisite for many experiments which use molecules for quantum science and precision measurement. However, even the simplest molecules have…
Quantum chemical studies of reactivity involve calculations on a large number of molecular structures and comparison of their energies. Already the set-up of these calculations limits the scope of the results that one will obtain, because…
Computing reaction rates in biomolecular systems is a common goal of molecular dynamics simulations. The reactions considered often involve conformational changes in the molecule, either changes in the structure of a protein or the relative…
It has been argued that the speed of sound of the strong interaction at high temperature can be measured using the variation of the mean transverse momentum with the particle multiplicity in ultracentral heavy-ion collisions. We test this…
Heating under periodic driving is a generic nonequilibrium phenomenon, and it is a challenging problem in nonequilibrium statistical physics to derive a quantitatively accurate heating rate. In this work, we provide a simple formula on the…
Radiative charge exchange collisions between a carbon atom C(${}^3$P) and a helium ion He+, both in their ground state, are investigated theoretically. Detailed quantum chemistry calculations are carried out to obtain potential energy…
We demonstrate that the nuclear collision geometry (i.e. impact parameter) can be determined with 1.5 fm accuracy in an event-by-event analysis by measuring the transverse energy flow in the pseudorapidity region $3 \le |\eta| \le 5$ with a…
We compute the rapidity dependence of particle and transverse energy production in ultrarelativistic heavy ion collisions at various beam energies and atomic numbers using the perturbative QCD + saturation model. The distribution is a broad…
Understanding and simulating how a quantum system interacts and exchanges information or energy with its surroundings is a ubiquitous problem, one which must be carefully addressed in order to establish a coherent framework to describe the…
It is shown how to formulate the ubiquitous quantum chemistry problem of calculating the thermal rate constant on a quantum computer. The resulting exact algorithm scales exponentially faster with the dimensionality of the system than all…
Quantum statistical correlations and momentum distributions are calculated for a spherically symmetric, three-dimensionally expanding finite fireballs, for non-relativistic expansions applying plane-wave approximation. The new concepts of…
We prepare mixtures of ultracold CaF molecules and Rb atoms in a magnetic trap and study their inelastic collisions. When the atoms are prepared in the spin-stretched state and the molecules in the spin-stretched component of the first…
We report the excitation energy dependence of specific heat (\cv) of hadronic matter at freeze-out in Au+Au and Cu+Cu collisions at the Relativistic Heavy Ion Collider energies by analyzing the published data on event-by-event mean…
We demonstrate that a nonthermal distribution of particles described by a kappa distribution can be accurately approximated by a weighted sum of Maxwell-Boltzmann distributions. We apply this method to modeling collision processes in…
Collisional and radiative dynamics of a plasma is exposed by so-called Collisional Radiative Models [1] that simplify the chemical kinetics by quasi-steady state assignment on certain types of particles. The assignment is conventionally…