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Title: Validity of the isolated resonance picture for H{sub 2} autoionizing states

Abstract

The isolated resonance picture (IRP) is tested by comparing calculations on doubly excited autoionizing states of H{sub 2} by using two different theoretical approaches: a recent implementation of the exterior complex scaling method and the standard Feshbach method with B-spline basis sets. These calculations demonstrate that the IRP can yield poor approximations to autoionization widths when doubly excited states approach the ionization threshold at large internuclear distances, R. In contrast, at small R where avoided crossings appear, the IRP produces accurate resonance parameters.

Authors:
;  [1];  [2];  [3]
  1. Departamento de Quimica C-IX, Universidad Autonoma de Madrid, 28049-Madrid (Spain)
  2. Departments of Applied Science and Chemistry, University of California, Davis, California 95616 (United States)
  3. (United States)
Publication Date:
OSTI Identifier:
20786805
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review. A; Journal Volume: 73; Journal Issue: 1; Other Information: DOI: 10.1103/PhysRevA.73.014702; (c) 2006 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; APPROXIMATIONS; AUTOIONIZATION; DISTANCE; EXCITED STATES; HYDROGEN; MOLECULES; RESONANCE

Citation Formats

Morales, Felipe, Martin, Fernando, McCurdy, C. William, and Lawrence Berkeley National Laboratory, Chemical Sciences, Berkeley, California 94720. Validity of the isolated resonance picture for H{sub 2} autoionizing states. United States: N. p., 2006. Web. doi:10.1103/PHYSREVA.73.0.
Morales, Felipe, Martin, Fernando, McCurdy, C. William, & Lawrence Berkeley National Laboratory, Chemical Sciences, Berkeley, California 94720. Validity of the isolated resonance picture for H{sub 2} autoionizing states. United States. doi:10.1103/PHYSREVA.73.0.
Morales, Felipe, Martin, Fernando, McCurdy, C. William, and Lawrence Berkeley National Laboratory, Chemical Sciences, Berkeley, California 94720. Sun . "Validity of the isolated resonance picture for H{sub 2} autoionizing states". United States. doi:10.1103/PHYSREVA.73.0.
@article{osti_20786805,
title = {Validity of the isolated resonance picture for H{sub 2} autoionizing states},
author = {Morales, Felipe and Martin, Fernando and McCurdy, C. William and Lawrence Berkeley National Laboratory, Chemical Sciences, Berkeley, California 94720},
abstractNote = {The isolated resonance picture (IRP) is tested by comparing calculations on doubly excited autoionizing states of H{sub 2} by using two different theoretical approaches: a recent implementation of the exterior complex scaling method and the standard Feshbach method with B-spline basis sets. These calculations demonstrate that the IRP can yield poor approximations to autoionization widths when doubly excited states approach the ionization threshold at large internuclear distances, R. In contrast, at small R where avoided crossings appear, the IRP produces accurate resonance parameters.},
doi = {10.1103/PHYSREVA.73.0},
journal = {Physical Review. A},
number = 1,
volume = 73,
place = {United States},
year = {Sun Jan 15 00:00:00 EST 2006},
month = {Sun Jan 15 00:00:00 EST 2006}
}