Corrigendum: Vibrational enhancement of positron affinities for nonpolar carbon dioxide and carbon disulfide molecules: Multi-component molecular orbital study for vibrational excited states

Authors

Errata

This article corrects:

  1. Vibrational enhancement of positron affinities for nonpolar carbon dioxide and carbon disulfide molecules: Multi-component molecular orbital study for vibrational excited states Volume 113, Issue 3, 382–385, Article first published online: 7 April 2012

Published in International Journal of Quantum Chemistry 2013, 113, 382–385; DOI: 10.1002/qua.24111

The authors of this article have notified us of several errors. The corrected text and figures are shown below. We apologize for any inconvenience this may have caused.

The correct Figures 1 and 2 are shown here. According to the modifications for these figures, some sentences in the article should be corrected as follows:

  1. The first sentence in the section “Positron attachment to CS2 and CO2 molecules” on page 383 should be read, “Figure 2 shows the one-dimensional (1D) potential energy curve (PEC), the vibrational wave functions up to ν = 16,”
  2. the second sentence in the same section should read, “The value of math formula becomes positive in the region greater than R = 0.15 and 0.13 Å for CO2 and CS2 molecules, respectively,”
  3. the fourth sentence in the same section should read, “The dipole moment values at 0.15 and 0.13 Å, where the positron affinity becomes positive, are 2.58 and 2.90 Debye for CO2 and CS2 molecules, respectively”, and
  4. the third sentence in the second paragraph of the same section should read, “At v equal to 6 and 13 for CS2 and CO2 molecules, respectively, the vibrational averaged PA values become positive, that is, math formula and math formula, respectively.”
Figure 1.

The one-dimensional PEC (shown by the black solid line) and positron affinity (PA, shown by the red solid line) values, as a function of the asymmetric stretching normal vibrational coordinate R in (a) CO2 and (b) CS2 molecules. The red dashed vertical line means R = 0.15 Å for CO2 and R = 0.13 Å for CS2. The corresponding vibrational wave functions squared up to ν = 16 are also shown. [Color figure can be viewed in the online issue, which is available at wileyonlinelibrary.com.]

Figure 2.

The vibrational averaged positron affinity values (meV) for CO2 (blue diamond) and CS2 (red square) molecules as a function of the vibrational quantum number v. [Color figure can be viewed in the online issue, which is available at wileyonlinelibrary.com.]

The abstract and conclusion are unaffected by these modifications.

Acknowledgment

The authors thank Mr. Yu Takeda for making Figures 2 and 3.

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