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Dynamic polarizabilities of Zn and Cd and dispersion coefficients involving group 12 atoms
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10.1063/1.4746155
/content/aip/journal/jcp/137/8/10.1063/1.4746155
http://aip.metastore.ingenta.com/content/aip/journal/jcp/137/8/10.1063/1.4746155

Figures

Image of FIG. 1.
FIG. 1.

Dynamic polarizability α(ω) of Zn. The black dots are the measurements of Goebel et al. 8 The size of the dot covers the rms of the experiment. The vertical dashed line indicates the location of ω = ɛ1. The blue line is the one-term fit of Goebel et al. 8 The red line is the present three-term fit. Note that both curves fit the measurements very well.

Image of FIG. 2.
FIG. 2.

Dynamic polarizability at imaginary frequency α(iω) of zinc. The blue line is obtained by changing ω into i ω in the one-term fit of α(ω) by Goebel et al. 8 The red line is obtained by the same continuation of the present three-term fit. The black dashed line and the green line are respectively the lower and upper bounds of α(iω) calculated with the formulas in the Appendix. Note that the one-term fit and the three-term fit of α(ω) are very similar as seen in Fig. 1, but their counter parts in α(iω) are drastically different as seen in this figure.

Image of FIG. 3.
FIG. 3.

Dynamic polarizability α(ω) of Cd. The black dots with error bars are the measurements of Goebel and Hohm.7 The vertical dash line indicates the location of ω = ɛ1. The enlarged region around ɛ1 is shown in (b). The blue line is the one-term fit of Goebel and Hohm.7 The red line is the present three-term fit.

Image of FIG. 4.
FIG. 4.

Dynamic polarizability at imaginary frequency α(iω) of cadmium. The blue line is obtained by changing ω into iω in the one-term fit of α(ω) by Goebel and Hohm.7 The red line is obtained by the same continuation of the present three-term fit. Note that the one-term fit is smaller everywhere than the three-term fit.

Tables

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Table I.

Comparison of polarizabilities of zinc between measurements of Goebel, Hohm, and Maroulis and the present three-term fits with parameters given in Table II. The rms error is given in parentheses. All in a.u.

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Table II.

Parameters in the three-term fit to the frequency-dependent dipole polarizabilities.

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Table III.

Dipole-dipole dispersion coefficients of zinc and cadmium dimers in atomic units.

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Table IV.

Comparison of polarizabilities of cadmium between measurements by Goebel and Hohm and the present three-term fits with parameters given in Table II. All in a.u.

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Table V.

Dipole-dipole dispersion coefficients involving group 12 atoms, all in atomic units.

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Table VI.

Comparisons of dipole-dipole dispersion coefficients, all in atomic units.

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Table VII.

Triple-dipole three-body dispersion coefficients of Zn and Cd in atomic units.

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Table VIII.

Triple-dipole three-body dispersion coefficients in atomic units.

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/content/aip/journal/jcp/137/8/10.1063/1.4746155
2012-08-28
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Dynamic polarizabilities of Zn and Cd and dispersion coefficients involving group 12 atoms
http://aip.metastore.ingenta.com/content/aip/journal/jcp/137/8/10.1063/1.4746155
10.1063/1.4746155
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