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- och molekylfysik och optik

Webpage:

https://www.ltu.se/research/subjects/Tillampad-fysik/2.85924?l=en

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.