Abstract
We have introduced in this paper a new cluster-expansion ansatz for the wave-operator Ω that incorporates orbital relaxation and differential correlation effects in a compact and efficient manner. The ansatz utilizes a Thouless-type transformation inducing these effects via a seminormal ordered exponential-type cluster operator, denoted as exp r[ T+ S c+ S r], with T, S c and S r as the core-correlation, valence-correlation and relaxation-cum-differential-correlation cluster operators, respectively. The theory is illustrated by using the example of one-valence core ionizations. Numerical applications illustrate both the superiority of the method to the normal-ordered ansatz for Ω, and the relative unimportance of S c for this problem.
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