An equilibrium‐based formulation with non‐linear configuration dependent interpolation for geometrically‐exact 3D beams

In a previous paper (Jahn and Teller 1937) the following theorem was established: A configuration of a polyatomic molecule for an electronic state having orbital degeneracy cannot be stable with respect to all displacements of the nuclei unless in the original configuration the nuclei all lie on a straight line. The proof given of this theorem took no account of the electronic spin, and in the present paper the justification of this is investigated. An extension of the theorem to cover additional degeneracy arising from the spin is established, which shows that if the total electronic state of orbital and spin motion is degenerate, then a non-linear configuration of the molecule will be unstable unless the degeneracy is the special twofold one (discussed by Kramers 1930) which can occur only when the molecule contains an odd number of electrons. The additional instability caused by the spin degeneracy alone, however, is shown to be very small and its effect for all practical purposes negligible. The possibility of spin forces stabilizing a non-linear configuration which is unstable owing to orbital degeneracy is also investigated, and it is shown that this is not possible except perhaps for molecules containing heavy atoms for which the spin forces are large. Thus whilst a symmetrical nuclear configuration in a degenerate orbital state might under exceptional circumstances be rendered stable by spin forces, it is not possible for the spin-orbit interaction to cause instability of an orbitally stable state. 1—General theorem for molecules with spin Just as before we must see how the symmetry of the molecular framework determines whether the energy of a degenerate electronic state with spin depends linearly upon nuclear displacements. This is again determined by the existence of non-vanishing perturbation matrix elements which are linear in the nuclear displacements. These matrix elements are integrals involving the electronic wave functions with spin and the nuclear displacements, and we deduce as before from their transformation properties whether for a given molecular symmetry they can be different from zero.

Download Full-text

B. The Non-Linear Calculations for Pulsating Stars

Symposium - International Astronomical Union ◽

10.1017/s0074180900019008 ◽

1967 ◽

Vol 28 ◽

pp. 105-176

Author(s):

Robert F. Christy

Keyword(s):

Major Part ◽

Afternoon Session ◽

Discussion Session ◽

Pulsating Stars ◽

Fourth Symposium ◽

Non Linear ◽

Considerable Discussion ◽

Informal Approach ◽

Preceding Session

(Ed. note: The custom in these Symposia has been to have a summary-introductory presentation which lasts about 1 to 1.5 hours, during which discussion from the floor is minor and usually directed at technical clarification. The remainder of the session is then devoted to discussion of the whole subject, oriented around the summary-introduction. The preceding session, I-A, at Nice, followed this pattern. Christy suggested that we might experiment in his presentation with a much more informal approach, allowing considerable discussion of the points raised in the summary-introduction during its presentation, with perhaps the entire morning spent in this way, reserving the afternoon session for discussion only. At Varenna, in the Fourth Symposium, several of the summaryintroductory papers presented from the astronomical viewpoint had been so full of concepts unfamiliar to a number of the aerodynamicists-physicists present, that a major part of the following discussion session had been devoted to simply clarifying concepts and then repeating a considerable amount of what had been summarized. So, always looking for alternatives which help to increase the understanding between the different disciplines by introducing clarification of concept as expeditiously as possible, we tried Christy's suggestion. Thus you will find the pattern of the following different from that in session I-A. I am much indebted to Christy for extensive collaboration in editing the resulting combined presentation and discussion. As always, however, I have taken upon myself the responsibility for the final editing, and so all shortcomings are on my head.)

Download Full-text