New Double Many-Body Expansion Potential Energy Surface for Ground-State HCN from a Multiproperty Fit to Accurate ab Initio Energies and Rovibrational Calculations†

2006 ◽  
Vol 110 (2) ◽  
pp. 485-493 ◽  
Author(s):  
A. J. C. Varandas ◽  
S. P. J. Rodrigues
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Ground State ◽  
Energy Surface ◽  
Many Body

Full-dimensional analytical ab initio potential energy surface of the ground state of HOI

2011 ◽  
Vol 135 (4) ◽  
pp. 044308 ◽  
Author(s):  
Antonio G. S. de Oliveira-Filho ◽  
Yuri A. Aoto ◽  
Fernando R. Ornellas
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Ground State ◽  
Energy Surface

Global analytical ab initio ground-state potential energy surface for the C(1D)+H2 reactive system

2014 ◽  
Vol 140 (23) ◽  
pp. 234301 ◽  
Author(s):  
Chunfang Zhang ◽  
Mingkai Fu ◽  
Zhitao Shen ◽  
Haitao Ma ◽  
Wensheng Bian
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Ground State ◽  
Energy Surface ◽  
Reactive System ◽  
State Potential
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