How To Analyze The Electronic Density - An Introduction To Some Useful Tools

Patzschke, M.

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How To Analyze The Electronic Density - An Introduction To Some Useful Tools

Patzschke, M.

Abstract

Understanding a molecular system is not possible by only doing an electronic structure calculation. The results have to be analysed. In this presentation we will show some useful tools to do that.

Keywords: computational chemistry; ELF/ELI; AIM; NCI

Invited lecture (Conferences)
CSC Spring School 2016, 11.03.2016, Helsinki, Finnland
Invited lecture (Conferences)
CSC Spring School in Theoretical Chemistry, 17.03.2017, Helsinki, Finnland

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