Linear-scaling self-consistent field methods for large molecules

2013 ◽  
Vol 3 (6) ◽  
pp. 614-636 ◽  
Author(s):  
Jörg Kussmann ◽  
Matthias Beer ◽  
Christian Ochsenfeld
Keyword(s):  
Linear Scaling ◽  
Field Methods ◽  
Large Molecules ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory

2007 ◽  
Vol 126 (15) ◽  
pp. 154108 ◽  
Author(s):  
Sonia Coriani ◽  
Stinne Høst ◽  
Branislav Jansík ◽  
Lea Thøgersen ◽  
Jeppe Olsen ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Electronic Structure Theory ◽  
Structure Theory ◽  
Linear Scaling ◽  
Molecular Response ◽  
Response Theory ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

scholarly journals Accurate ab initio density fitting for multiconfigurational self-consistent field methods

2008 ◽  
Vol 129 (2) ◽  
pp. 024113 ◽  
Author(s):  
Francesco Aquilante ◽  
Thomas Bondo Pedersen ◽  
Roland Lindh ◽  
Björn Olof Roos ◽  
Alfredo Sánchez de Merás ◽  
...  
Keyword(s):  
Ab Initio ◽  
Field Methods ◽  
Consistent Field ◽  
Density Fitting ◽  
Self Consistent ◽  
Self Consistent Field
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