𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Construction of potential energy curves in avoided crossing situations

✍ Scribed by K.D. Jordan

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
467 KB
Volume
9
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

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

Non-non-crossings in molecular potential
Non-non-crossings in molecular potential energy curves
✍ G.J. Hatton; W.L. Lichten; N. Ostrove πŸ“‚ Article πŸ“… 1976 πŸ› Elsevier Science 🌐 English βš– 338 KB

This article points out a new aspect of approximate calculations of molecular potential curves\_ Two curves that cross in an exact solution of the ekctronic wave equation may avoid each other when an approsimate method is used. This is in direct contradiction to the usual interpretation of the van N

The origins of avoided crossings in poly
The origins of avoided crossings in polymer dispersion curves
✍ Christopher E. Wozny; Donald W. Noid; Bobby G. Sumpter πŸ“‚ Article πŸ“… 1995 πŸ› John Wiley and Sons 🌐 English βš– 842 KB

## Abstract A purely mathematical heuristic model is examined in order to explain the existence of an avoided crossing between two dispersion curves calculated for a certain potential energy surface designed to simulate the dynamics of a linear polyethylene chain. The model shows that a third mode