Potential energy curve for isomerization of N2H2 and C2H4 using the improved virtual orbital multireference Møller–Plesset perturbation theory

2008 ◽  
Vol 128 (14) ◽  
pp. 144304 ◽  
Author(s):  
Rajat K. Chaudhuri ◽  
Karl F. Freed ◽  
Sudip Chattopadhyay ◽  
Uttam Sinha Mahapatra
Keyword(s):  
Perturbation Theory ◽  
Potential Energy ◽  
Potential Energy Curve ◽  
Energy Curve ◽  
Virtual Orbital ◽  
Moller Plesset ◽  
Plesset Perturbation Theory

Accurate Potential Energy Curve for B2. Ab Initio Elucidation of the Experimentally Elusive Ground State Rotation-Vibration Spectrum

2012 ◽  
Vol 116 (7) ◽  
pp. 1717-1729 ◽  
Author(s):  
Laimutis Bytautas ◽  
Nikita Matsunaga ◽  
Gustavo E. Scuseria ◽  
Klaus Ruedenberg
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Ground State ◽  
Potential Energy Curve ◽  
Vibration Spectrum ◽  
Energy Curve

The theoretical determination of the B 1Πu potential energy curve for Li2

1977 ◽  
Vol 66 (3) ◽  
pp. 1135-1140 ◽  
Author(s):  
Luis R. Kahn ◽  
Thom H. Dunning ◽  
Nicholas W. Winter ◽  
William A. Goddard
Keyword(s):  
Potential Energy ◽  
Potential Energy Curve ◽  
Energy Curve ◽  
Theoretical Determination
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