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Revisiting the foundations of quantum theory of atoms in molecules (QTAIM): The variational procedure and the zero‐flux conditions |
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| Authors: | Payam Nasertayoob Shant Shahbazian |
| Affiliation: | Department of Chemistry, Faculty of Sciences, Shahid Beheshti University, Evin, Tehran, Iran 19839 |
| Abstract: | |
| Keywords: | quantum theory of atoms in molecules (QTAIM) variational procedure net zero‐flux condition local zero‐flux condition mathematical neighborhoods |