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

Coupled cluster energy derivatives. Analytic Hessian for the closed‐shell coupled cluster singles and doubles wave function: Theory and applications

1990 ◽  
Vol 92 (8) ◽  
pp. 4924-4940 ◽  
Author(s):  
Henrik Koch ◽  
Hans Jo/rgen Aa. Jensen ◽  
Poul Jo/rgensen ◽  
Trygve Helgaker ◽  
Gustavo E. Scuseria ◽  
...  
Keyword(s):  
Wave Function ◽  
Function Theory ◽  
Closed Shell ◽  
Coupled Cluster ◽  
Energy Derivatives ◽  
Cluster Energy

A closed-shell coupled-cluster treatment of the Breit–Pauli first-order relativistic energy correction

2004 ◽  
Vol 121 (14) ◽  
pp. 6591-6598 ◽  
Author(s):  
Sonia Coriani ◽  
Trygve Helgaker ◽  
Poul Jørgensen ◽  
Wim Klopper
Keyword(s):  
Closed Shell ◽  
Coupled Cluster ◽  
Relativistic Energy ◽  
First Order ◽  
Energy Correction

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
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