Scalable Electron Correlation Methods I.: PNO-LMP2 with Linear Scaling in the Molecular Size and Near-Inverse-Linear Scaling in the Number of Processors

2015 ◽  
Vol 11 (2) ◽  
pp. 484-507 ◽  
Author(s):  
Hans-Joachim Werner ◽  
Gerald Knizia ◽  
Christine Krause ◽  
Max Schwilk ◽  
Mark Dornbach
Keyword(s):  
Electron Correlation ◽  
Molecular Size ◽  
Linear Scaling ◽  
Correlation Methods

Low-order scaling local electron correlation methods. I. Linear scaling local MP2

1999 ◽  
Vol 111 (13) ◽  
pp. 5691-5705 ◽  
Author(s):  
Martin Schütz ◽  
Georg Hetzer ◽  
Hans-Joachim Werner
Keyword(s):  
Electron Correlation ◽  
Linear Scaling ◽  
Local Electron ◽  
Correlation Methods ◽  
Low Order

Computerized implementation of higher-order electron-correlation methods and their linear-scaling divide-and-conquer extensions

2017 ◽  
Vol 38 (29) ◽  
pp. 2520-2527 ◽  
Author(s):  
Masahiko Nakano ◽  
Takeshi Yoshikawa ◽  
So Hirata ◽  
Junji Seino ◽  
Hiromi Nakai
Keyword(s):  
Electron Correlation ◽  
Higher Order ◽  
Divide And Conquer ◽  
Linear Scaling ◽  
Correlation Methods

Calculation of the solvation state of organolithium compounds: Effects of basis sets and electron correlation methods

2009 ◽  
Vol 109 (1) ◽  
pp. 34-42 ◽  
Author(s):  
Lawrence M. Pratt ◽  
Darrel Jones ◽  
Andrea Sease ◽  
Donta Busch ◽  
Emmanuel Faluade ◽  
...  
Keyword(s):  
Electron Correlation ◽  
Basis Sets ◽  
Solvation State ◽  
Organolithium Compounds ◽  
Correlation Methods
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