Virial theorem decomposition as a tool for comparing and improving potential-energy surfaces: ground-state Li3

1994 ◽  
Vol 90 (10) ◽  
pp. 1381 ◽  
Author(s):  
A. A. C. C. Pais ◽  
R. F. Nalewajski ◽  
A. J. C. Varandas
Keyword(s):  
Potential Energy ◽  
Ground State ◽  
Potential Energy Surfaces ◽  
Virial Theorem ◽  
Energy Surfaces

scholarly journals Global potential energy surfaces for the H3+ system. Analytical representation of the adiabatic ground-state 1 1A′ potential

2000 ◽  
Vol 112 (3) ◽  
pp. 1240-1254 ◽  
Author(s):  
Alfredo Aguado ◽  
Octavio Roncero ◽  
César Tablero ◽  
Cristina Sanz ◽  
Miguel Paniagua
Keyword(s):  
Potential Energy ◽  
Ground State ◽  
Potential Energy Surfaces ◽  
Analytical Representation ◽  
Energy Surfaces ◽  
State 1

Triplet and ground state potential energy surfaces of 1,4-diphenyl-1,3-butadiene: theory and experiment

2008 ◽  
Vol 7 (5) ◽  
pp. 566 ◽  
Author(s):  
J. Saltiel ◽  
O. Dmitrenko ◽  
Z. S. Pillai ◽  
R. Klima ◽  
S. Wang ◽  
...  
Keyword(s):  
Potential Energy ◽  
Ground State ◽  
Potential Energy Surfaces ◽  
State Potential ◽  
Energy Surfaces ◽  
Theory And Experiment
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