Gmat. A software tool for the computation of the rovibrational \(G\) matrix

DOI10.1016/j.cpc.2009.01.006zbMath1198.81012OpenAlexW2092981117MaRDI QIDQ603271

Camelia Muñoz-Caro, María Eugenia Castro, Alfonso Niño

Publication date: 6 November 2010

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

Full work available at URL: https://doi.org/10.1016/j.cpc.2009.01.006

zbMATH Keywords

object-oriented programmingprincipal inertia axesrovibrational \(G\) matrixvibrational coordinates

Mathematics Subject Classification ID

Software, source code, etc. for problems pertaining to quantum theory (81-04) Software, source code, etc. for problems pertaining to biology (92-04)

Related Items (3)

A metaheuristic approach to the optimal definition of molecule-fixed axes in rovibrational Hamiltonians ⋮ Heuristic computation of the rovibrational \(\mathbf {G}\) matrix in optimized molecule-fixed axes. \texttt{Gmat 2.1} ⋮ Gmat

Uses Software

• GAMESS
• Eiffel
• GAUSSIAN

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