A Gauss Elimination Method for Resonances
John P.Killingbeck, Alain Grosjean

TL;DR
This paper introduces a Gaussian elimination-based inverse iteration method within the complex coordinate approach to efficiently find real and complex resonance energies, providing a unified framework for various quantum problems.
Contribution
It presents a novel Gaussian elimination method for inverse iteration in the complex coordinate approach, unifying the calculation of bound and resonant states.
Findings
Effective in computing both real and complex energies
Provides a simple, uniform computational framework
Energy shift method aids in diagnostics
Abstract
A Gaussian elimination form of inverse iteration within the complex coordinate approach is shown to produce a simple uniform method of finding both real bound state energies and complex resonant state energies for several problems which have been treated by a variety of methods in the literature. The energy shift method for expectation values is shown to be a useful diagnostic tool.
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Taxonomy
TopicsSpectroscopy and Quantum Chemical Studies · Electron Spin Resonance Studies
