onr:"swepub:oai:DiVA.org:kth-37817"
Search: onr:"swepub:oai:DiVA.org:kth-37817" > Theory of strongly ...
- 1 of 1
- Previous record
- Next record
- To hitlist
Theory of strongly correlated electron systems : II. Including correlation effects into electronic structure calculations
-
- Lundin, Urban (author)
- Uppsala universitet,Fysiska institutionen,Teoretisk magnetism,Theoretical Magnetism
-
- Sandalov, Igor (author)
- Uppsala universitet,KTH,Kondenserade materiens teori,Fysiska institutionen,Teoretisk magnetism,Theoretical Magnetism
-
- Eriksson, Olle (author)
- Uppsala universitet,Fysiska institutionen,Teoretisk magnetism,Theoretical Magnetism
- (creator_code:org_t)
- Wiley, 2005
- 2005
- English.
- In: International Journal of Quantum Chemistry. - : Wiley. - 0020-7608 .- 1097-461X. ; 102:6, s. 1046-1055
- Journal article (peer-reviewed)
Abstract
Subject headings
Close
- We have previously shown that a division of the f-shell into two subsystems gives a better understanding of the cohesive properties as well the general behavior of lanthanide systems. In this article, we present numerical computations, using the suggested method. We show that the picture is consistent with most experimental data, e.g., the equilibrium volume and electronic structure in general. Compared with standard energy band calculations and calculations based on the self-interaction correction and LIDA + U, the f-(non-f)-mixing interaction is decreased by spectral weights of the many-body states of the f-ion.
Subject headings
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Keyword
- density functional theory
- strongly correlated electrons
- lanthanides
- band structure calculations
- ground-state properties
- Quantum chemistry
- Kvantkemi
- Condensed matter physics
Publication and Content Type
- ref (subject category)
- art (subject category)
Find in a library
- International Journal of Quantum Chemistry (Search for host publication in LIBRIS)
To the university's database
- 1 of 1
- Previous record
- Next record
- To hitlist
Find more in SwePub
- By the author/editor
- Lundin, Urban
- Sandalov, Igor
- Eriksson, Olle
- About the subject
-
- NATURAL SCIENCES
- NATURAL SCIENCES
- and Chemical Science ...
- and Theoretical Chem ...
-
- NATURAL SCIENCES
- NATURAL SCIENCES
- and Physical Science ...
- and Condensed Matter ...
- Articles in the publication
- International Jo ...
- By the university
- Royal Institute of Technology
- Uppsala University
Search outside SwePub
- Extend your search to:
- Google Book Search
- Google Scholar
Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.
- Copyright © LIBRIS - National Library Systems
- LIBRIS.kb.se
