scholarly journals An adaptive interpolation scheme for molecular potential energy surfaces

2016 ◽  
Vol 145 (8) ◽  
pp. 084104 ◽  
Author(s):  
Markus Kowalewski ◽  
Elisabeth Larsson ◽  
Alfa Heryudono
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Interpolation Scheme ◽  
Molecular Potential ◽  
Adaptive Interpolation ◽  
Molecular Potential Energy ◽  
Energy Surfaces

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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