Quantemol-N: an expert system for performing electron molecule collision calculations using the R-matrix method
作者： Jonathan Tennyson , Daniel B Brown , James J Munro , Iryna Rozum , Hemal N Varambhia
DOI: 10.1088/1742-6596/86/1/012001
关键词:
摘要: The R-matrix method has been widely employed to ab initio calculations on a large variety of problems related electron molecule scattering. UK Molecular Code, which are synthesis between codes designed for quantum chemistry and atom scattering calculations, proved particularly popular these studies but is difficult the non-specialist use. Quantemol-N software environment scientists with minimal knowledge theory or use without need complex dedicated training. Their illustrated low energy collisions silane.
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