An empirically adjusted Newton-Raphson algorithm for finding local minima on molecular potential energy surfaces

1990 ◽  
Vol 11 (1) ◽  
pp. 58-63 ◽  
Author(s):  
John F. Stanton ◽  
David E. Bernholdt
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Local Minima ◽  
Molecular Potential ◽  
Newton Raphson ◽  
Molecular Potential Energy ◽  
Energy Surfaces ◽  
Raphson Algorithm

Towards efficient refinement of molecular potential energy surfaces: Ammonia as a case study

2011 ◽  
Vol 268 (1-2) ◽  
pp. 123-129 ◽  
Author(s):  
Sergei N. Yurchenko ◽  
Robert J. Barber ◽  
Jonathan Tennyson ◽  
Walter Thiel ◽  
Per Jensen
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Molecular Potential ◽  
Molecular Potential Energy ◽  
Energy Surfaces
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