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Structures and harmonic vibrational frequencies for excited states of diatomic molecules with CCSD(R12) and CCSD(F12)

Jun Yang1, Christof Hättig

  • 1Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, Universitatsstrasse 150 D-44801 Bochum, Germany. jun.yang@theochem.ruhr-uni-bochum.de

The Journal of Chemical Physics
|April 2, 2009
PubMed

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