The treatment of triple excitations within the coupled cluster description of molecular electronic structure

1985 ◽  
Vol 83 (2) ◽  
pp. 703-712 ◽  
Author(s):  
Mark R. Hoffmann ◽  
Henry F. Schaefer
Keyword(s):  
Electronic Structure ◽  
Coupled Cluster ◽  
Molecular Electronic ◽  
Molecular Electronic Structure

scholarly journals Quantum implementation of the unitary coupled cluster for simulating molecular electronic structure

2017 ◽  
Vol 95 (2) ◽  
Author(s):  
Yangchao Shen ◽  
Xiang Zhang ◽  
Shuaining Zhang ◽  
Jing-Ning Zhang ◽  
Man-Hong Yung ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Coupled Cluster ◽  
Molecular Electronic ◽  
Molecular Electronic Structure

Mechanism and Molecular−Electronic Structure Correlations in a Novel Series of Osmium(V) Hydrazido Complexes

2000 ◽  
Vol 39 (14) ◽  
pp. 3075-3085 ◽  
Author(s):  
My Hang V. Huynh ◽  
El-Sayed El-Samanody ◽  
Konstantinos D. Demadis ◽  
Peter S. White ◽  
Thomas J. Meyer
Keyword(s):  
Electronic Structure ◽  
Molecular Electronic ◽  
Structure Correlations ◽  
Molecular Electronic Structure
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