scholarly journals Linear-Scaling Implementation of Multilevel Hartree–Fock Theory

2021 ◽  
Author(s):  
Linda Goletto ◽  
Eirik F. Kjønstad ◽  
Sarai D. Folkestad ◽  
Ida-Marie Høyvik ◽  
Henrik Koch
Keyword(s):  
Linear Scaling ◽  
Hartree Fock

Linear scaling computation of the Hartree–Fock exchange matrix

1996 ◽  
Vol 105 (7) ◽  
pp. 2726-2734 ◽  
Author(s):  
Eric Schwegler ◽  
Matt Challacombe
Keyword(s):  
Linear Scaling ◽  
Hartree Fock ◽  
Exchange Matrix

Towards black-box linear scaling optimization in Hartree-Fock and Kohn-Sham theories

2006 ◽  
pp. 177-189
Author(s):  
Stinne Høst ◽  
Jeppe Olsen ◽  
Branislav Jansik ◽  
Poul Jørgensen ◽  
Simen Reine ◽  
...  
Keyword(s):  
Black Box ◽  
Linear Scaling ◽  
Hartree Fock

Hartree-Fock and Kohn-Sham time-dependent response theory in a second-quantization atomic-orbital formalism suitable for linear scaling

2008 ◽  
Vol 129 (5) ◽  
pp. 054106 ◽  
Author(s):  
Thomas Kjærgaard ◽  
Poul Jørgensen ◽  
Jeppe Olsen ◽  
Sonia Coriani ◽  
Trygve Helgaker
Keyword(s):  
Atomic Orbital ◽  
Time Dependent ◽  
Linear Scaling ◽  
Response Theory ◽  
Second Quantization ◽  
Hartree Fock

A linear scaling method for Hartree–Fock exchange calculations of large molecules

1996 ◽  
Vol 105 (19) ◽  
pp. 8969-8972 ◽  
Author(s):  
John C. Burant ◽  
Gustavo E. Scuseria ◽  
Michael J. Frisch
Keyword(s):  
Linear Scaling ◽  
Scaling Method ◽  
Large Molecules ◽  
Hartree Fock
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