Electrostatic Forces: Formulas for the First Derivatives of a Polarizable, Anisotropic Electrostatic Potential Energy Function Based on Machine Learning

2014 ◽  
Vol 10 (9) ◽  
pp. 3840-3856 ◽  
Author(s):  
Matthew J. L. Mills ◽  
Paul L. A. Popelier
Keyword(s):  
Machine Learning ◽  
Potential Energy ◽  
Electrostatic Potential ◽  
Energy Function ◽  
Potential Energy Function ◽  
Electrostatic Forces ◽  
Electrostatic Potential Energy ◽  
Derivatives Of

Ab initio potential energy function for the dynamics of the fluoronium ion

1993 ◽  
Vol 47 (5) ◽  
pp. 335-373 ◽  
Author(s):  
F. A. Gianturco ◽  
E. Buonomo ◽  
E. Semprini ◽  
F. Stefani ◽  
Amadeo Palma
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Energy Function ◽  
Potential Energy Function
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