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Erratum: “Inclusion of explicit electron-proton correlation in the nuclear-electronic orbital approach using Gaussian-type geminal functions” [J. Chem. Phys. 129, 014101 (2008)]
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1. A. Chakraborty, M. V. Pak, and S. Hammes-Schiffer, J. Chem. Phys. 129, 014101 (2008).
http://dx.doi.org/10.1063/1.2943144
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Figures

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FIG. 2.

The nuclear density as a function of the proton coordinate along the He−He axis for the [He–H–He]+ system calculated with the NEO-HF (dashed line), NEO-XCHF (solid line), and Fourier grid Hamiltonian (dotted line) methods. Each one-dimensional slice of nuclear density is normalized to unity.

Tables

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Table II.

The effective frequencies (cm−1) for the [He–H–He]+ system with H, D, and T for the central nucleus.

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Table III.

Comparison of effective frequencies (cm−1) for the [He–H–He]+ system with different numbers of s basis functions in the proton basis set.

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Table IV.

Comparison of the effective frequencies (cm−1) for the [He–H–He]+ system with different numbers of geminal functions used in the calculation.

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2011-02-18
2014-04-21

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Scitation: Erratum: “Inclusion of explicit electron-proton correlation in the nuclear-electronic orbital approach using Gaussian-type geminal functions” [J. Chem. Phys. 129, 014101 (2008)]
http://aip.metastore.ingenta.com/content/aip/journal/jcp/134/7/10.1063/1.3555041
10.1063/1.3555041
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