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Equation of motion coupled cluster theory calculations of the X-ray emission spectroscopy of water

✍ Scribed by Nicholas A. Besley


Book ID
116387065
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
372 KB
Volume
542
Category
Article
ISSN
0009-2614

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✍ Hideo Sekino; Rodney J. Bartlett πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 676 KB

The coupled cluster (CC) treatment of a second-order property is expressed, analytically, by a generalized sum over state formulation based upon the equation of motion CC intermediate state wavefunctions. The method is applied to calculate the Fermi contact contribution to the indirect spin-spin cou