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Canonical transformation theory from extended normal ordering.
The canonical transformation theory of Yanai and Chan [J. Chem. Phys. 124, 194106 (2006)] provides a rigorously size-extensive description of dynamical correlation in multireference problems. Here we describe a new formulation of the theory based on the extended normal ordering procedure of Mukherjee and Kutzelnigg [J. Chem. Phys. 107, 432 (1997)]. On studies of the water, nitrogen, and iron ox...
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ژورنال
عنوان ژورنال: Proceedings of the American Mathematical Society
سال: 1961
ISSN: 0002-9939
DOI: 10.2307/2034213