Orca for computational actinide chemistry

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Patzschke, M.

Abstract

The program package Orca will be introduced and the use in computational actinide chemistry will be demonstrated.

Keywords: computational chemistry; ab initio; DFT; relativistic effects

Invited lecture (Conferences)
ThUL School 2017, 16.-20.10.2017, Jülich, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-26334

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