Expectation values and density matrices in the Coupled‐Cluster theory
- 1 July 1983
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 24 (1) , 79-84
- https://doi.org/10.1002/qua.560240107
Abstract
A scheme for calculating expectation values in coupled‐cluster wave functions is given. The unlinked terms originating from the norm of the wave function are eliminated. Hermiticity and trace conditions for the density matrices are exhibited in such a way as to guarantee their conservation in any reasonable truncation scheme.Keywords
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