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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Discarding Information from Previous Iterations in an Optimal Way To Solve the Coupled Cluster Amplitude Equations

Patrick Ettenhuber1, Poul Jørgensen1

  • 1qLEAP Center for Theoretical Chemistry, Department of Chemistry, Aarhus University , Langelandsgade 140, DK-8000 Aarhus C, Denmark.

Journal of Chemical Theory and Computation
|November 18, 2015
PubMed

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