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

J. Chem. Phys. 109, 9219-9236 (1999).
(Received 6 March 1998; accepted 21 August 1998)

Based on an analysis of the second residues of the coupled cluster ground state response functions, general expressions are derived for multiphoton transition moments between two excited states and for excited states response functions. The second residues are rewritten as derivatives of variational functionals and computational efficient expressions are obtained in accordance with the 2n+1 and 2n+2 rules. For the excited state response functions secular divergent terms are removed by reformulating the expresions that are identified from the second residues of the ground state response functions as derivatives of an excited state quasienergy Lagrangian. Explicit expressions are given for coupled cluster one-, two-, three- and fourphoton transition moments between two excited states and for excited states first-order properties and linear, quadratic and cubic response functions.

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