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Reply to Correspondence on "Core Electron Topologies in Chemical Compounds: Case Study of Carbon versus Silicon".

作者信息

Yoshida Daisuke, Raebiger Hannes, Shudo Ken-Ichi

机构信息

Department of Physics, Yokohama National University, Yokohama, Japan.

Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei, Taiwan.

出版信息

Angew Chem Int Ed Engl. 2019 Jul 29;58(31):10408-10409. doi: 10.1002/anie.201906346. Epub 2019 Jul 1.

Abstract

In their Correspondence, von Szentpály, Schwarz, Stoll, and Werner claim that the main conclusions of our Communication previously published in this journal are based on computational artifacts and oversimplified models. We clarify the justification of our simple one-electron model to describe one-electron physics, and refute their criticism based on what they call "computational artifacts." We remind that our main conclusion on the crucial role of qualitative changes in core electron wavefunctions is evidenced not only by wavefunction topologies the complainants cling to, but also by several other physical observables, which remain unrefuted. Hence, the conclusions of our original Communication stand.

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