Paper Info
Title
The VOLSCAT package for electron and positron scattering of molecular targets: A new high throughput approach to cross-section and resonances computation
Abstract
VOLSCAT is a computer program which implements the Single Center Expansion (SCE) method to solve the scattering equation for the elastic collision of electrons/positrons off molecular targets. The scattering potential needed is calculated by on-the-fly calls to the external SCELib library for molecular properties, recently ported to GPU computing environment and ClearSpeed platforms, and made available by means of an Application Program Interface (SCELib-API) which is also provided with the VOLSCAT package in a beta version. The result is a high throughput approach to the solution of the complex e−/e+-molecule scattering problem, with allows for intensive calculations both for the number of systems which can be studied and for their size. Accurate partial and total elastic cross sections are produced in output together with the associated eigenphase sums. Indirect scattering processes arising from the formation of temporary negative ions can also be analyzed through the computation of the resonances' parameters.
Year
DOI
Venue
2009
10.1016/j.cpc.2009.07.013
Computer Physics Communications
Keywords
Field
DocType
34.50.Gb,34.80.Bm
Computational physics,Atomic physics,Mathematical analysis,Scattering,General-purpose computing on graphics processing units,Computer program,Elastic collision,Ion,Mathematics,Positron,Electron,Computation
Journal
Volume
Issue
ISSN
180
12
0010-4655
Citations 
PageRank 
References 
1
0.48
1
Authors
3
Name
Order
Citations
PageRank
Nico Sanna1256.73
I. Baccarelli242.34
G. Morelli342.34