Jahn-Teller E-e Problem: Diagonalization by Means of a Transformed Basis
Affiliation:
1. Institut für Theoretische Physik, Universität Stuttgart
Abstract
Abstract
A unitary transformation is applied to the E-e Jahn-Teller problem. The eigenfunctions of the diagonal part of the transformed Hamiltonian are utilized for a Ritz diagonalization procedure. Results are given for basic sets of 12, 20 and 42 functions and compared with the respective conventional calculations. In the transformed picture the exact results are approached in a different manner than in the original one and thus the reliability of the numerical work is improved.
Publisher
Walter de Gruyter GmbH
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy,Mathematical Physics