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Manifold theory of multidimensional potential surfaces

✍ Scribed by Paul G. Mezey

Publisher
John Wiley and Sons
Year
1981
Tongue
English
Weight
555 KB
Volume
20
Category
Article
ISSN
0020-7608

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πŸ“œ SIMILAR VOLUMES

Finding saddles on multidimensional pote
Finding saddles on multidimensional potential surfaces
✍ R.S. Berry; Heidi L. Davis; Thomas L. Beck πŸ“‚ Article πŸ“… 1988 πŸ› Elsevier Science 🌐 English βš– 474 KB

A method is presented which directly locates saddle points on multidimensionl potential energy surfaces. The method is simple to implement and can be used whenever steepest decent quenches are applicable. As an example, it is applied to a molecular dynamics study of the low-energy isomerizations of

On multidimensional avoided crossings of
On multidimensional avoided crossings of potential energy surfaces
✍ E. Ohrendorf; L.S. Cederbaum; H. KΓΆppel πŸ“‚ Article πŸ“… 1988 πŸ› Elsevier Science 🌐 English βš– 739 KB

In polyatomic molecules, the Wigner-van Neumann non-crossmg rule is generally relaxed because of the cxistcncc of more than a single nuclear coordinate. Potential energy surfaces may or may not intersect. There is an interesting class of states where an intersection cannot occur if only the dominant