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On the SCF method for coupled-vibron systems

✍ Scribed by Nimrod Moiseyev

Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
434 KB
Volume
98
Category
Article
ISSN
0009-2614

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✦ Synopsis

The variance of the self-consistent field vibrational energy eigenvalues under rotational transformations of the coordinate system are shown to be another example of broken symmetry variational solutions. which arc obtained in the Hartree approximation and are known as the symmetry dilemma. It is shown here that the variations of the eulerian angles that define the rotation-representation matrix can be restricted if one mode is highly excited and the others are not, or if several modes ;re excited to the same vibrational energy. The Hinon-Heiles, Barbanis, Pullen-Edmonds and linearly coupled-oscillator systems are analytically studied as examples. * Supported in part by the US-Israel binational foundation. ** Yigal Allon Fellow.

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