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.2016.09.005

Additional 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.