scholarly journals Energy and analytic gradients for the orbital-optimized coupled-cluster doubles method with the density-fitting approximation: An efficient implementation

2020 ◽  
Vol 153 (24) ◽  
pp. 244115
Author(s):  
Uğur Bozkaya ◽  
Aslı Ünal ◽  
Yavuz Alagöz
Keyword(s):  
Efficient Implementation ◽  
Coupled Cluster ◽  
Density Fitting

Orbital-optimized linearized coupled-cluster doubles with density-fitting and Cholesky decomposition approximations: an efficient implementation

2016 ◽  
Vol 18 (16) ◽  
pp. 11362-11373 ◽  
Author(s):  
Uğur Bozkaya
Keyword(s):  
Cholesky Decomposition ◽  
Efficient Implementation ◽  
Coupled Cluster ◽  
Density Fitting

An efficient implementation of the orbital-optimized linearized coupled-cluster double method with the density-fitting (DF-OLCCD) and Cholesky decomposition (CD-OLCCD) approximations is presented.

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