An efficient and near linear scaling pair natural orbital based local coupled cluster method

2013 ◽  
Vol 138 (3) ◽  
pp. 034106 ◽  
Author(s):  
Christoph Riplinger ◽  
Frank Neese
Keyword(s):  
Cluster Method ◽  
Coupled Cluster ◽  
Linear Scaling ◽  
Coupled Cluster Method ◽  
Natural Orbital

Linear scaling coupled cluster method with correlation energy based error control

2010 ◽  
Vol 133 (1) ◽  
pp. 014107 ◽  
Author(s):  
Marcin Ziółkowski ◽  
Branislav Jansík ◽  
Thomas Kjærgaard ◽  
Poul Jørgensen
Keyword(s):  
Error Control ◽  
Correlation Energy ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Linear Scaling ◽  
Coupled Cluster Method

A domain-based local pair natural orbital implementation of the equation of motion coupled cluster method for electron attached states

2019 ◽  
Vol 150 (16) ◽  
pp. 164123 ◽  
Author(s):  
Achintya Kumar Dutta ◽  
Masaaki Saitow ◽  
Baptiste Demoulin ◽  
Frank Neese ◽  
Róbert Izsák
Keyword(s):  
Equation Of Motion ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Coupled Cluster Method ◽  
Natural Orbital ◽  
Local Pair

A near-linear scaling equation of motion coupled cluster method for ionized states

2018 ◽  
Vol 148 (24) ◽  
pp. 244101 ◽  
Author(s):  
Achintya Kumar Dutta ◽  
Masaaki Saitow ◽  
Christoph Riplinger ◽  
Frank Neese ◽  
Róbert Izsák
Keyword(s):  
Equation Of Motion ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Linear Scaling ◽  
Coupled Cluster Method ◽  
Scaling Equation

Towards a pair natural orbital coupled cluster method for excited states

2016 ◽  
Vol 145 (3) ◽  
pp. 034102 ◽  
Author(s):  
Achintya Kumar Dutta ◽  
Frank Neese ◽  
Róbert Izsák
Keyword(s):  
Excited States ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Coupled Cluster Method ◽  
Natural Orbital

A natural linear scaling coupled-cluster method

2004 ◽  
Vol 121 (22) ◽  
pp. 10935 ◽  
Author(s):  
N. Flocke ◽  
Rodney J. Bartlett
Keyword(s):  
Cluster Method ◽  
Coupled Cluster ◽  
Linear Scaling ◽  
Coupled Cluster Method
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