New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X̃1A1 and excited C̃1B2(21A′) states of SO2

2016 ◽  
Vol 144 (17) ◽  
pp. 174301 ◽  
Author(s):  
Jacek Kłos ◽  
Millard H. Alexander ◽  
Praveen Kumar ◽  
Bill Poirier ◽  
Bin Jiang ◽  
...  
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Bound State ◽  
Adiabatic Potential ◽  
Energy Surfaces

CVRQD ab initio ground-state adiabatic potential energy surfaces for the water molecule

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Vol 125 (20) ◽  
pp. 204307 ◽  
Author(s):  
Paolo Barletta ◽  
Sergei V. Shirin ◽  
Nikolai F. Zobov ◽  
Oleg L. Polyansky ◽  
Jonathan Tennyson ◽  
...  
Keyword(s):  
Water Molecule ◽  
Potential Energy ◽  
Ab Initio ◽  
Ground State ◽  
Potential Energy Surfaces ◽  
Adiabatic Potential ◽  
Energy Surfaces

scholarly journals Global ab initio potential energy surfaces for the O2(Σ3g−)+O2(Σ3g−) interaction

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Vol 133 (12) ◽  
pp. 124311 ◽  
Author(s):  
Massimiliano Bartolomei ◽  
Estela Carmona-Novillo ◽  
Marta I. Hernández ◽  
José Campos-Martínez ◽  
Ramón Hernández-Lamoneda
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Energy Surfaces

Intermolecular potential energy surfaces and spectra of Ne–HCN complex from ab initio calculations

2001 ◽  
Vol 114 (2) ◽  
pp. 764 ◽  
Author(s):  
Garold Murdachaew ◽  
Alston J. Misquitta ◽  
Robert Bukowski ◽  
Krzysztof Szalewicz
Keyword(s):  
Potential Energy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Intermolecular Potential ◽  
Energy Surfaces
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