ISSN:
1432-2234
Schlagwort(e):
Electronic energy
;
Potential energy surfaces
;
Isoelectronic molecules
;
Upper and lower bounds for energy
Quelle:
Springer Online Journal Archives 1860-2000
Thema:
Chemie und Pharmazie
Notizen:
Abstract Within the Born-Oppenheimer approximation an inequality relation is derived between points of electronic energy hypersurfaces of pairs of isoelectronic molecules. The inequality is directly applicable to point pairs fulfilling a symmetry criterion for the nuclear frameworks and it may be extended to coordinate domains on both hypersurfaces. The result is applied to special examples of conformational problems, dissociation reactions and impurity —vacancy centres in solid clusters.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1007/BF00553391
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