Recent progress in linear-scaling density functional calculations with plane waves and pseudopotentials: the ONETEP code

2008 ◽  
Vol 20 (6) ◽  
pp. 064209 ◽  
Author(s):  
Chris-Kriton Skylaris ◽  
Peter D Haynes ◽  
Arash A Mostofi ◽  
Mike C Payne
Keyword(s):  
Density Functional Calculations ◽  
Density Functional ◽  
Recent Progress ◽  
Plane Waves ◽  
Linear Scaling

scholarly journals Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach

2005 ◽  
Vol 167 (2) ◽  
pp. 103-128 ◽  
Author(s):  
Joost VandeVondele ◽  
Matthias Krack ◽  
Fawzi Mohamed ◽  
Michele Parrinello ◽  
Thomas Chassaing ◽  
...  
Keyword(s):  
Density Functional Calculations ◽  
Density Functional ◽  
Plane Waves

Linear scaling density functional calculations via the continuous fast multipole method

1996 ◽  
Vol 253 (3-4) ◽  
pp. 268-278 ◽  
Author(s):  
Christopher A. White ◽  
Benny G. Johnson ◽  
Peter M.W. Gill ◽  
Martin Head-Gordon
Keyword(s):  
Density Functional Calculations ◽  
Density Functional ◽  
Fast Multipole Method ◽  
Linear Scaling ◽  
Fast Multipole ◽  
Multipole Method

RETRACTED ARTICLE: ONETEP: linear-scaling density-functional theory with plane-waves

2007 ◽  
Vol 33 (7) ◽  
pp. 551-555 ◽  
Author(s):  
A. A. Mostofi ◽  
P. D. Haynes ◽  
C. -K. Skylaris ◽  
M. C. Payne
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Plane Waves ◽  
Linear Scaling ◽  
Functional Theory ◽  
Retracted Article
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