Comparison of convergence for the schwinger, optimized anomaly-free, and optimized minimum-norm variational methods for potential scattering

Devarajan Thirumalai, Donald G. Truhlar

Research output: Contribution to journalArticlepeer-review

16 Scopus citations

Abstract

We apply the Schwinger method, two Kohn-type methods, and three Harris-Michels-type methods to electron scattering by the same potential with the same sets of basis functions We also test a polynomial basis in the Schwinger method. We use Nesbet and Oberoi's method to avoid spurious singularities of the Kohn method Kohn and Harris-Michels methods show much better convergence to the accurate result than the Schwinger method.

Original languageEnglish (US)
Pages (from-to)330-335
Number of pages6
JournalChemical Physics Letters
Volume70
Issue number2
DOIs
StatePublished - Mar 1 1980

Bibliographical note

Funding Information:
Thus work was supported m part by the National Scrence Foundation under grant no. CHE77-27415.

Fingerprint

Dive into the research topics of 'Comparison of convergence for the schwinger, optimized anomaly-free, and optimized minimum-norm variational methods for potential scattering'. Together they form a unique fingerprint.

Cite this