TITLE

Calculation of magnetic properties. VI. Electron correlated nuclear shielding constants and

AUTHOR(S)
Cybulski, Slawomir M.; Bishop, David M.
PUB. DATE
March 1997
SOURCE
Journal of Chemical Physics;3/8/1997, Vol. 106 Issue 10, p4082
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Part VI. Discusses the development of the theory of relaxed density matrices for the calculation of second-order response properties at third-order Moller-Plesset and linearized coupled cluster double excitation levels of theory. Application of ensuing algorithm to the determination of the isotropic and anisotropic nuclear magnetic shielding constants.
ACCESSION #
4171652

 

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