A code for analysis of the fine structure in near-rigid weakly-bonded open-shell complexes that consist of a diatomic radical in a \(^3 \Sigma\) state and a closed-shell molecule

DOI10.1016/J.CPC.2010.06.042zbMath1219.82011OpenAlexW2026191593MaRDI QIDQ548989

Publication date: 30 June 2011

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

Full work available at URL: https://doi.org/10.1016/j.cpc.2010.06.042

zbMATH Keywords

open-shell complexes quantum mechanical calculation vibration-rotation spectra

Mathematics Subject Classification ID

Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10) Molecular physics (81V55) Software, source code, etc. for problems pertaining to statistical mechanics (82-04)

Uses Software

TSIG_COMP

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