The VOLSCAT package for electron and positron scattering of molecular targets: A new high throughput approach to cross-section and resonances computation

DOI10.1016/J.CPC.2009.07.013MaRDI QIDQ711758zbMATH OpenOpenAlexFDO

Authors D. Kharzeev

Publication date 28 October 2010

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.cpc.2009.07.013

zbMATH Keywords

\texttt{VOLSCAT}electron-molecule scatteringSCE molecular propertiessingle center expansion library

Mathematics Subject Classification ID

Software, source code, etc. for problems pertaining to quantum theory (81-04)

Recommendations

• \textsc{elsepa} -- Dirac partial-wave calculation of elastic scattering of electrons and positrons by atoms, positive ions and molecules (New Version Announcement)
• Differential cross sections for electron/positron scattering from polyatomic molecules
• SCELib3.0: the new revision of SCELib, the parallel computational library of molecular properties in the single center approach
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• Molcol: A program for solving atomic and molecular collision problems.

Cites work

• SCELib: A parallel computational library of molecular properties in the single center approach
• SCELib3.0: the new revision of SCELib, the parallel computational library of molecular properties in the single center approach

Cited in

(8)

• VOLSCAT
• Differential cross sections for electron/positron scattering from polyatomic molecules
• Comparison of two screening corrections to the additivity rule for the calculation of electron scattering from polyatomic molecules
• Solution of coupled integral equations for quantum scattering in the presence of complex potentials
• Application of the method of continued fractions to electron scattering by polyatomic molecules
• VPA: computer program for the computation of the phase shift in atom-atom potential scattering using the variable phase approach
• \textsc{elsepa} -- Dirac partial-wave calculation of elastic scattering of electrons and positrons by atoms, positive ions and molecules (New Version Announcement)
• SCELib3.0: the new revision of SCELib, the parallel computational library of molecular properties in the single center approach

Describes a project that uses

Uses Software

• SCELib
• GAUSSIAN

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