Quantum-mechanical force balance between multipolar dispersion and Pauli repulsion in atomic van der Waals dimers

Quantum-mechanical force balance between multipolar dispersion and Pauli repulsion in atomic van der Waals dimers

The structure and stability of atomic and molecular systems with van der Waals (vdW) bonding are often determined by the interplay between attractive dispersion interactions and repulsive interactions caused by electron confinement. Arising due to different mechanisms—electron correlation for disper...

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Bibliographic Details
Main Authors: Ornella Vaccarelli, Dmitry V. Fedorov, Martin Stöhr, Alexandre Tkatchenko
Format: Article
Language:English
Published: American Physical Society 2021-08-01
Series:Physical Review Research
Online Access:http://doi.org/10.1103/PhysRevResearch.3.033181

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