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by jmw
Wed Mar 06, 2019 12:41 pm
Forum: Bader
Topic: Oxidation number
Replies: 1
Views: 6627

Oxidation number

Hello, Would it be physically suitable to use bader charge without core charge from vasp as an approximation on oxidation states? As far as I understood, without the core charges the bader charges are a measurement where the valence electrons are distributed, what exactly is the concept of oxidation...