SNIC
SUPR
SNIC SUPR
Quasiclassical trajectory simulations on the interstellar molecule formation with radiative association
Dnr:

SNIC 2017/3-73

Type:

SNAC Small

Principal Investigator:

Peter Szabo

Affiliation:

LuleƄ tekniska universitet

Start Date:

2017-08-10

End Date:

2018-09-01

Primary Classification:

10302: Atom and Molecular Physics and Optics

Allocation

Abstract

The purpose of the project is the simulation of radiative association in molecular collisions with interstellar relevance. In the project we use our home-built quasiclassical trajectory (QCT) code. In the QCT method the fragments before the collision are prepared in a semiclassical quantum state and the classical equations of motion are solved for the nuclei to simulate the collisions. In the QCT procedure we use a Monte Carlo estimation of the cross sections, thus the initial semiclassical rovibrational states of the molecules are prepared in a random way. Due to the Monte Carlo procedure the calculation of the collision processes are quasiparalell: each individual collision can be calculated independently.