Efficient evaluation of Coulomb integrals in a mixed Gaussian and plane-wave basis using the density fitting and Cholesky decomposition

2012 ◽  
Vol 136 (11) ◽  
pp. 114105 ◽  
Author(s):  
Petr Čársky ◽  
Roman Čurík ◽  
Štefan Varga
Keyword(s):  
Plane Wave ◽  
Cholesky Decomposition ◽  
Density Fitting ◽  
Coulomb Integrals

Asymmetric Density Fitting with Modified Cholesky Decomposition Applied to Second-Order Electron Propagator

2020 ◽  
Vol 16 (3) ◽  
pp. 1597-1605
Author(s):  
Juan Felipe Huan Lew-Yee ◽  
Roberto Flores-Moreno ◽  
José Luis Morales ◽  
Jorge M. del Campo
Keyword(s):  
Cholesky Decomposition ◽  
Second Order ◽  
Electron Propagator ◽  
Modified Cholesky Decomposition ◽  
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.

Sign in / Sign up

Export Citation Format

Share Document