Comparison and combination of “direct” and fragment based local correlation methods: Cluster in molecules and domain based local pair natural orbital perturbation and coupled cluster theories

2018 ◽  
Vol 148 (12) ◽  
pp. 124117 ◽  
Author(s):  
Yang Guo ◽  
Ute Becker ◽  
Frank Neese
Keyword(s):  
Coupled Cluster ◽  
Local Correlation ◽  
Natural Orbital ◽  
Correlation Methods ◽  
Orbital Perturbation ◽  
Local Pair ◽  
Local Correlation Methods

Symmetry-adapted Localized Wannier Functions Suitable for Periodic Local Correlation Methods

2006 ◽  
Vol 116 (4-5) ◽  
pp. 726-733 ◽  
Author(s):  
Silvia Casassa ◽  
Claudio M. Zicovich-Wilson ◽  
Cesare Pisani
Keyword(s):  
Local Correlation ◽  
Wannier Functions ◽  
Correlation Methods ◽  
Local Correlation Methods

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
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