Coupled cluster response calculations of twophoton transition probability rate constants for helium, neon and argon

Christof Hättig, Ove Christiansen, and Poul Jørgensen
Department of Chemistry, Århus University, DK-8000 Århus C, Denmark

J. Chem. Phys. 108, 8355-8359 (1998).
(Received 12 November 1998; accepted 19 Februar 1998)

The implementation of twophoton transition moments is described for the hierachy of coupled cluster models CCS, CC2 and CCSD and applications are reported for the twophoton transition probability rate constants for transitions from the ground state to the first excited 1Se state in helium and to the lowest 1De and 1Se states in neon and argon. At the CCSD level the rate constant for the 1De transition in argon is in good agreement with the experimental rate constant and also with a recent MCSCF calculation.

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