Showing papers in "Advances in Quantum Chemistry in 1984"
TL;DR: In this paper, the cluster coefficients in a full coupled cluster theory involving single, double and triple cluster operators with respect to an independent particle reference, expressible as a single determinant of spin-orbitals, are derived.
Abstract: Equations for the determination of the cluster coefficients in a full coupled cluster theory involving single, double and triple cluster operators with respect to an independent particle reference, expressible as a single determinant of spin-orbitals, are derived The resulting wave operator is full, or untruncated, consistant with the choice of cluster operator truncation and the requirements of the connected cluster theorem A time-independent diagrammatic approach, based on second quantization and the Wick theorem, is employed Final equations are presented that avoid the construction of rank three intermediary tensors The model is seen to be a computationally viable, size-extensive, high-level description of electron correlation in small polyatomic molecules
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