Electronic Resource
New York, NY
:
Wiley-Blackwell
International Journal of Quantum Chemistry
24 (1983), S. 79-84
ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
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.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560240107
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