C2V Insertion pathway for BeH2: A test problem for the coupled-cluster single and double excitation model

1983 ◽  
Vol 23 (3) ◽  
pp. 835-845 ◽  
Author(s):  
George D. Purvis ◽  
Ron Shepard ◽  
Franklin B. Brown ◽  
Rodney J. Bartlett
Keyword(s):  
Test Problem ◽  
Coupled Cluster ◽  
Double Excitation ◽  
Excitation Model

Analytic evaluation of energy gradients for the single and double excitation coupled cluster (CCSD) wave function: Theory and application

1987 ◽  
Vol 87 (9) ◽  
pp. 5361-5373 ◽  
Author(s):  
Andrew C. Scheiner ◽  
Gustavo E. Scuseria ◽  
Julia E. Rice ◽  
Timothy J. Lee ◽  
Henry F. Schaefer
Keyword(s):  
Wave Function ◽  
Function Theory ◽  
Coupled Cluster ◽  
Double Excitation ◽  
Analytic Evaluation

A systematic theoretical study of harmonic vibrational frequencies: The single and double excitation coupled cluster (CCSD) method

1988 ◽  
Vol 89 (1) ◽  
pp. 360-366 ◽  
Author(s):  
Brent H. Besler ◽  
Gustavo E. Scuseria ◽  
Andrew C. Scheiner ◽  
Henry F. Schaefer
Keyword(s):  
Theoretical Study ◽  
Vibrational Frequencies ◽  
Coupled Cluster ◽  
Double Excitation ◽  
Ccsd Method

The infrared spectrum of water. Basis set dependence at the single and double excitation coupled cluster (CCSD) level of theory

1988 ◽  
Vol 149 (1) ◽  
pp. 118-122 ◽  
Author(s):  
Henrik Koch ◽  
Gustavo E. Scuseria ◽  
Andrew C. Scheiner ◽  
Henry F. Schaefer
Keyword(s):  
Infrared Spectrum ◽  
Basis Set ◽  
Coupled Cluster ◽  
Double Excitation

An efficient reformulation of the closed‐shell coupled cluster single and double excitation (CCSD) equations

1988 ◽  
Vol 89 (12) ◽  
pp. 7382-7387 ◽  
Author(s):  
Gustavo E. Scuseria ◽  
Curtis L. Janssen ◽  
Henry F. Schaefer
Keyword(s):  
Closed Shell ◽  
Coupled Cluster ◽  
Double Excitation
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