Published January 12, 2017
| Version v1
Journal article
Stabilization calculations of the low-lying temporary anions states of Be, Mg, and Ca
- 1. Department of Chemistry, Grove City College, Grove City, PA 16127 (United States)
- 2. Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260 (United States)
Description
The stabilization method is used in conjunction with the equation-of-motion electron-attachment coupled-cluster method to calculate the complex energies of the 2P temporary anion states of Be and Mg as well as of the 2D temporary anions states of Mg and Ca. The calculated resonance parameters for the 2P state of Mg− and 2D state of Ca− agree well with experiment. Experimental results are not available for the 2P anion of Be, but we note that our calculated resonance parameters of 2P Be−, while in good agreement with the CI results of McNutt and McCurdy (1983), differ significantly from the results of two other recent theoretical studies.
Availability note (English)
Available from http://dx.doi.org/10.1016/j.chemphys.2016.09.005Additional details
Identifiers
- DOI
- 10.1016/j.chemphys.2016.09.005;
- PII
- S0301-0104(16)30545-6;
Publishing Information
- Journal Title
- Chemical Physics
- Journal Volume
- 482
- Journal Page Range
- p. 239-243
- ISSN
- 0301-0104
- CODEN
- CMPHC2
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 50016640
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- BERYLLIUM; CALCIUM; ELECTRON ATTACHMENT; EQUATIONS OF MOTION; MAGNESIUM; MAGNESIUM IONS; STABILIZATION
- Descriptors DEC
- ALKALINE EARTH METALS; CHARGED PARTICLES; DIFFERENTIAL EQUATIONS; ELEMENTS; EQUATIONS; IONS; METALS; PARTIAL DIFFERENTIAL EQUATIONS
Optional Information
- Copyright
- Copyright (c) 2016 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.