Anomaly-free singularities in the generalized Kohn variational method

Details Anomaly-free singularities in the generalized Kohn variational method Anomaly-free singularities in the generalized Kohn variational method

2008-10-27

arxiv.org/abs/0810.4814v2

Physics

Mathematical Physics

20 pages, 13 figures. Changes made in response to referees' comments. Significant improvements made to interpretation of resul

Scientific paper

10.1088/1751-8113/42/9/095207

We have carried out an analysis of singularities in Kohn variational calculations for low energy e^{+}-H_{2} elastic scattering. Provided that a sufficiently accurate trial wavefunction is used, we argue that our implementation of the Kohn variational principle necessarily gives rise to singularities which are not spurious. We propose two approaches for optimizing a free parameter of the trial wavefunction in order to avoid anomalous behaviour in scattering phase shift calculations, the first of which is based on the existence of such singularities. The second approach is a more conventional optimization of the generalized Kohn method. Close agreement is observed between the results of the two optimization schemes; further, they give results which are seen to be effectively equivalent to those obtained with the complex Kohn method. The advantage of the first optimization scheme is that it does not require an explicit solution of the Kohn equations to be found. We give examples of anomalies which cannot be avoided using either optimization scheme but show that it is possible to avoid these anomalies by considering variations in the nonlinear parameters of the trial function.

Affiliated with

Also associated with

No associations

Rating

Anomaly-free singularities in the generalized Kohn variational method does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Anomaly-free singularities in the generalized Kohn variational method, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Anomaly-free singularities in the generalized Kohn variational method will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-324154