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

DOI10.1016/J.CPC.2009.07.009zbMath1197.82017OpenAlexW4248460600MaRDI 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 scatteringSCE molecular propertiessingle center expansion library

Mathematics Subject Classification ID

Software, source code, etc. for problems pertaining to quantum theory (81-04) Software, source code, etc. for problems pertaining to statistical mechanics (82-04)

Related Items (5)

Superintegrable cases of four-dimensional dynamical systems ⋮ Local bifurcation analysis and topological horseshoe of a 4D hyper-chaotic system ⋮ SCELib4.0: the new program version for computing molecular properties in the single center approach ⋮ The VOLSCAT package for electron and positron scattering of molecular targets: A new high throughput approach to cross-section and resonances computation ⋮ SCELib3.0

Uses Software

• SCELib
• GAUSSIAN

Cites Work

• Quantum Monte Carlo on graphical processing units
• General purpose molecular dynamics simulations fully implemented on graphics processing units
• SCELib: A parallel computational library of molecular properties in the single center approach
• The role of computer technology in applied computational chemical-physics

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