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

DOI10.1016/j.cpc.2009.07.009zbMath1197.82017MaRDI QIDQ711757

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.2009.07.009

zbMATH Keywords

\texttt{SCELib}; electron-molecule scattering; SCE molecular properties; single center expansion library

Mathematics Subject Classification ID

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

82-04: Software, source code, etc. for problems pertaining to statistical mechanics

Related Items

SCELib3.0

Uses Software

• SCELib
• GAUSSIAN