Is it Possible to Reconcile the Amount of Charge Transfer Defined in Real Space by the Charge Displacement Function and in Hilbert Space by Absolutely Localized Molecular Orbitals?
Year: 2026
Type: article
Authors: Hengyuan Shen, Martin Head-Gordon
Institution: Lawrence Berkeley National Laboratory
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: closed
Funder: Division of Chemistry
Award: G5258242982
OpenAlex ID: W7130333917