Universität zu Köln

Herrmann, Nils ORCID: 0000-0002-6468-9180 (2022). A Rigorously Spin-Adapted and Spin-Complete Coupled Cluster Method for Arbitrary High-Spin Open-Shell States. Thesis Abstract, Universität zu Köln.

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Item Type:	Thesis Abstract
Creators:	Creators Email ORCID ORCID Put Code Herrmann, Nils nils_herrmann@outlook.com https://orcid.org/0000-0002-6468-9180 UNSPECIFIED
URN:	urn:nbn:de:hbz:38-620749
Date:	26 April 2022
Language:	English
Faculty:	Faculty of Mathematics and Natural Sciences
Divisions:	Faculty of Mathematics and Natural Sciences > Department of Chemistry > Institute of Theoretical Chemistry
Subjects:	Data processing Computer science Natural sciences and mathematics Physics Chemistry and allied sciences
Uncontrolled Keywords:	Keywords Language Coupled Cluster, quantum chemistry, electron correlation, spin, spin adaption, spin completeness, open shell, configuration interaction English
Date of oral exam:	24 March 2022
Referee:	Name Academic Title Hanrath, Michael PD Dr. Dolg, Michael Prof. Dr. Musiał, Monika Prof. Dr.
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/62074