Development of a robust tool to extract Mulliken and Löwdin charges from plane waves and its application to solid-state materials

Ertural, Christina; Steinberg, Simon; Dronskowski, Richard (Corresponding author)

London : RSC Publishing (2019)
Journal Article

In: RSC Advances
Volume: 9
Issue: 51
Page(s)/Article-Nr.: 29821-29830

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