The simulation of X-ray absorption spectra from ground and excited electronic states using core-valence separated DFT/MRCI-Reference-Cited by-同舟云学术

The simulation of X-ray absorption spectra from ground and excited electronic states using core-valence separated DFT/MRCI

Author:

Seidu Issaka¹^ORCID,Neville Simon P.¹,Kleinschmidt Martin²,Heil Adrian²,Marian Christel M.²^ORCID,Schuurman Michael S.¹³^ORCID

Affiliation:

1. Department of Chemistry and Biomolecular Sciences, University of Ottawa, 10 Marie Curie, Ottawa, Ontario K1N 6N5, Canada

2. Institute of Theoretical and Computational Chemistry, Heinrich Heine Universität Düsselddorf, Universitätsstraße 1, 40225 Düsseldorf, Germany

3. National Research Council of Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6, Canada

Funder

Deutsche Forschungsgemeinschaft

Natural Sciences and Engineering Research Council of Canada

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference78 articles.

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