Reference : Adiabatic-to-diabatic electronic state transformation and curvilinear nuclear coordin...
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Chemistry
http://hdl.handle.net/2268/3537
Adiabatic-to-diabatic electronic state transformation and curvilinear nuclear coordinates for molecular systems
English
Chapuisat, Xavier [ > > ]
Nauts, André [ > > ]
Dehareng, Dominique mailto [Université de Liège - ULg > > Centre d'ingénierie des protéines >]
25-Feb-1983
Chemical Physics Letters
Elsevier Science
95
2
139-143
Yes (verified by ORBi)
International
0009-2614
Amsterdam
The Netherlands
[en] adiabatic state ; diabatic state ; adiabatic to diabatic transformation
[en] Following an original idea of Baer, since then several times applied to various small molecular collisional systems, it is shown that — whatever the choice of curvilinear generalized coordinates to describe the molecular gometry and overall rotation — the algebraic framework proposed by Baer remains valid provided only that the exact tensorial expression of the kinetic energy operator is used.
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http://hdl.handle.net/2268/3537

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