The utility of higher order derivatives in constructing molecular potential energy surfaces by interpolation

1995 ◽  
Vol 103 (22) ◽  
pp. 9669-9675 ◽  
Author(s):  
Meredith J. T. Jordan ◽  
Keiran C. Thompson ◽  
Michael A. Collins
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Higher Order ◽  
Molecular Potential ◽  
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
Sign in / Sign up

Export Citation Format

Share Document