onr:"swepub:oai:lup.lub.lu.se:1436ef20-7b4d-44e0-8dee-db728306027d"
Search: onr:"swepub:oai:lup.lub.lu.se:1436ef20-7b4d-44e0-8dee-db728306027d" > Uncontracted basis ...
- 1 of 1
- Previous record
- Next record
- To hitlist
Uncontracted basis sets for ab initio calculations of muonic atoms and molecules
-
- Ugandi, Mihkel (author)
- Uppsala universitet,Uppsala University,Teoretisk kemi
-
- Fdez. Galván, Ignacio (author)
- Uppsala universitet,Uppsala University,Teoretisk kemi
-
- Widmark, Per Olof (author)
- Lund University,Lunds universitet,Beräkningskemi,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Computational Chemistry,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH,Lund Univ, Dept Theoret Chem, Lund, Sweden.
- show more...
- show less...
- (creator_code:org_t)
- 2018-09-04
- 2018
- English.
- In: International Journal of Quantum Chemistry. - : Wiley. - 0020-7608 .- 1097-461X. ; 118:21
- Journal article (peer-reviewed)
Abstract
Subject headings
Close
- In this work, we investigated muonic atoms and molecules from a quantum chemist's viewpoint by incorporating muons in the CASSCF model. With the aim of predicting muonic X-ray energies, primitive muonic basis sets were developed for a selection of elements. The basis sets were then used in CASSCF calculations of various atoms and molecules to calculate muonic excited states. We described the influence of nuclear charge distribution in predicting muonic X-ray energies. Effects of the electronic wave function on the muonic X-ray energies were also examined. We have computationally demonstrated how the muon can act as a probe for the nuclear charge distribution or electronic wave function by considering lower or higher muonic excited states, respectively.
Subject headings
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Keyword
- CASSCF
- muonic basis sets
- nuclear charge distribution
- quantum chemistry
- X-ray spectroscopy
- CASSCF
Publication and Content Type
- art (subject category)
- ref (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
- Ugandi, Mihkel
- Fdez. Galván, Ig ...
- Widmark, Per Olo ...
- Lindh, Roland
- Fernández Galván ...
- About the subject
-
- NATURAL SCIENCES
- NATURAL SCIENCES
- and Chemical Science ...
- and Theoretical Chem ...
- Articles in the publication
- International Jo ...
- By the university
- Lund University
- 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
