Non-adiabatic coupling of the 11A' and 21A' states of ozone in the vicinity of their conical intersection and construction of diabatic states

By Sukumar N.   Peyerimhoff Sigrid D.  

Molecular Physics, Vol. 95, Iss. 1, 1998-09 ,pp. : 61-70

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On the description of potential energy surfaces exhibiting conical intersections: a compact representation of the energies and derivative couplings and locally diabatic bases for the HOH and OHH portions of the 11 A-21 A seam of conical intersection in water

By Yarkony David R.  

Molecular Physics, Vol. 93, Iss. 6, 1998-04 ,pp. : 971-983

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Adiabatic-diabatic transformations for molecular systems: a model study of two interacting conical intersections

By Baer Michael   Englman Robert   Varandas Antonio J. C.  

Molecular Physics, Vol. 97, Iss. 11, 1999-12 ,pp. : 1185-1191

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Diabatic representation of the à 2 A 1 B̃ 2 B 2 conical intersection in NH 2

By Petrongolo Carlo   Hirsch Gerhard   Buenker Robert  

Molecular Physics, Vol. 70, Iss. 5, 1990-08 ,pp. : 825-834

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Numerical techniques for the evaluation of non-adiabatic interactions and the generation of quasi-diabatic potential energy surfaces using configuration interaction methods

By Mitrushenkov Alexander O.   Palmieri Paolo   Puzzarini Cristina   Tarroni Riccardo  

Molecular Physics, Vol. 98, Iss. 21, 2000-11 ,pp. : 1677-1690

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