United Atom Treatment of the Behavior of Potential Energy Surfaces of Polyatomic Molecules at Small Internuclear Distances

1959 ◽  
Vol 30 (5) ◽  
pp. 1254-1258 ◽  
Author(s):  
Werner A. Bingel
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Polyatomic Molecules ◽  
Internuclear Distances ◽  
Energy Surfaces

Multiperturbation approach to potential energy surfaces for polyatomic molecules

1995 ◽  
Vol 102 (12) ◽  
pp. 4919-4930 ◽  
Author(s):  
Donald H. Galvan ◽  
Moh’d Abu‐Jafar ◽  
Frank C. Sanders
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Polyatomic Molecules ◽  
Energy Surfaces

The intersection of potential energy surfaces in polyatomic molecules

1975 ◽  
Vol 344 (1637) ◽  
pp. 147-156 ◽  
Keyword(s):  
Wave Function ◽  
Potential Energy ◽  
Electronic State ◽  
Configuration Space ◽  
Potential Energy Surfaces ◽  
Polyatomic Molecules ◽  
The State ◽  
State Changes ◽  
Energy Surfaces ◽  
Recent Claim

It is proved that if the wave function of a given electronic state changes sign when transported adiabatically round a loop in nuclear configuration space, then the state must become degenerate with another one at some point within the loop. I t is further shown that this condition is satisfied by certain unsymmetrical triatomic systems, thereby disposing of a recent claim that the non-crossing rule for diatomic molecules applies also to polyatomic molecules.

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