Efficient linear-scaling calculation of response properties: Density matrix-based Laplace-transformed coupled-perturbed self-consistent field theory

2008 ◽  
Vol 128 (22) ◽  
pp. 221102 ◽  
Author(s):  
Matthias Beer ◽  
Christian Ochsenfeld
Keyword(s):  
Field Theory ◽  
Density Matrix ◽  
Linear Scaling ◽  
Response Properties ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory

Trace resetting density matrix purification in O(N) self-consistent-field theory

2003 ◽  
Vol 118 (19) ◽  
pp. 8611-8620 ◽  
Author(s):  
Anders M. N. Niklasson ◽  
C. J. Tymczak ◽  
Matt Challacombe
Keyword(s):  
Field Theory ◽  
Density Matrix ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory

Linear-scaling implementation of molecular electronic self-consistent field theory

2007 ◽  
Vol 126 (11) ◽  
pp. 114110 ◽  
Author(s):  
Paweł Sałek ◽  
Stinne Høst ◽  
Lea Thøgersen ◽  
Poul Jørgensen ◽  
Pekka Manninen ◽  
...  
Keyword(s):  
Field Theory ◽  
Linear Scaling ◽  
Molecular Electronic ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory

Linear Scaling Self-Consistent Field Theory with Spectral Contour Accuracy

2019 ◽  
Vol 8 (11) ◽  
pp. 1402-1406 ◽  
Author(s):  
Daniel L. Vigil ◽  
Carlos J. García-Cervera ◽  
Kris T. Delaney ◽  
Glenn H. Fredrickson
Keyword(s):  
Field Theory ◽  
Linear Scaling ◽  
Spectral Contour ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Contour Accuracy ◽  
Self Consistent Field Theory
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