Efficient Method for Calculating Effective Core Potential Integrals

2018 ◽  
Vol 122 (11) ◽  
pp. 3066-3075 ◽  
Author(s):  
Simon C. McKenzie ◽  
Evgeny Epifanovsky ◽  
Giuseppe M. J. Barca ◽  
Andrew T. B. Gilbert ◽  
Peter M. W. Gill
Keyword(s):  
Efficient Method ◽  
Effective Core Potential ◽  
Core Potential

scholarly journals An efficient method for calculating effective core potential integrals which involve projection operators

1998 ◽  
Vol 296 (5-6) ◽  
pp. 445-451 ◽  
Author(s):  
Chris-Kriton Skylaris ◽  
Laura Gagliardi ◽  
Nicholas C. Handy ◽  
Andrew G. Ioannou ◽  
Steven Spencer ◽  
...  
Keyword(s):  
Efficient Method ◽  
Projection Operators ◽  
Effective Core Potential ◽  
Core Potential

Efficient implementation of effective core potential integrals and gradients on graphical processing units

2015 ◽  
Vol 143 (1) ◽  
pp. 014114 ◽  
Author(s):  
Chenchen Song ◽  
Lee-Ping Wang ◽  
Torsten Sachse ◽  
Julia Preiß ◽  
Martin Presselt ◽  
...  
Keyword(s):  
Efficient Implementation ◽  
Effective Core Potential ◽  
Core Potential ◽  
Graphical Processing Units ◽  
Graphical Processing
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