Cauchy moments and dispersion coefficients using coupled cluster linear response theory

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

J. Chem. Phys. 107, 10592-10598 (1997)
(Received 13 May 1997; accepted 19 September 1997)

Expressions for the even Cauchy moments for nonvariational methods have been derived using the time-averaged quasienergy Lagrangian technique. The expressions obtained require the solution of linear equations but do not involve a sum over individual excited-state contributions. An implementation is reported for the coupled cluster models CCS, CC2, and CCSD and calculations have been performed for the Cauchy moments and the Verdet and Cotton-Mouton constants of the Ne atom and for the C6 dispersion coefficient of the Ne2 dimer.

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