Reducing the Cost of Evaluation of the Gradient and Hessian of Molecular Potential Energy Functions

2004 ◽  
pp. 275-287
Author(s):  
C. Lavor ◽  
N. Maculan
Keyword(s):  
Potential Energy ◽  
Energy Functions ◽  
Potential Energy Functions ◽  
Molecular Potential ◽  
Molecular Potential Energy ◽  
The Cost

A consensus line search algorithm for molecular potential energy functions

2009 ◽  
Vol 30 (9) ◽  
pp. 1499-1509 ◽  
Author(s):  
Alexander Rurainski ◽  
Andreas Hildebrandt ◽  
Hans-Peter Lenhof
Keyword(s):  
Potential Energy ◽  
Line Search ◽  
Search Algorithm ◽  
Energy Functions ◽  
Potential Energy Functions ◽  
Molecular Potential ◽  
Molecular Potential Energy ◽  
Line Search Algorithm
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