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Accurate determinat...
Accurate determination of the enhancement factor X for the nuclear Schiff moment in (TlF)-Tl-205 molecule based on the four-component relativistic coupled-cluster theory
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- Abe, Minori (författare)
- Department of Chemistry, Graduate School of Science, Tokyo Metropolitan University, Tokyo, Japan
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- Tsutsui, Takashi (författare)
- Tokyo Metropolitan Univ, Grad Sch Sci, Dept Chem, Tokyo, Japan.
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- Ekman, Jörgen (författare)
- Malmö universitet,Institutionen för materialvetenskap och tillämpad matematik (MTM)
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- Hada, Masahiko (författare)
- Department of Chemistry, Graduate School of Science, Tokyo Metropolitan University, Tokyo, Japan
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- Das, Bhanu (författare)
- Department of Physics and International Education and Research Center of Science, Tokyo Institute of Technology, Tokyo, Japan
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Department of Chemistry, Graduate School of Science, Tokyo Metropolitan University, Tokyo, Japan Tokyo Metropolitan Univ, Grad Sch Sci, Dept Chem, Tokyo, Japan (creator_code:org_t)
- 2020-05-23
- 2020
- Engelska.
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Ingår i: Molecular Physics. - : Taylor & Francis. - 0026-8976 .- 1362-3028. ; 118:23
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- Studies of parity (P) and time-reversal (T) symmetry violations using molecules are important and attractive because they are complementary to the high-energy tests of physics beyond the Standard Model of elementary particles. The focus of our present work is to surpass the current accuracies of the quantity X, an enhancement factor for the nuclear Schiff moment (Q), and the nucleon electric dipole moments for the (TlF)-Tl-205 molecule. We obtain X = 6856 a.u. using a relativistic coupled-cluster singles and doubles and perturbative triples (CCSD(T)) approach. This new value of X improves the upper limits for Q and the proton EDM by about ten percent over the previous ones. [GRAPHICS] .
Ämnesord
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Nyckelord
- Schiff moment
- relativistic quantum chemistry
- coupled cluster
- EDM
- diatomic molecule
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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