Free molecule studies by perturbed γ-γ angular correlation: A new path to accurate nuclear quadrupole moments
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Free molecule studies by perturbed γ-γ angular correlation : A new path to accurate nuclear quadrupole moments. / Haas, Heinz; Röder, Jens; Correia, Joao G.; Schell, Juliana ; Fenta, Abel S.; Vianden, Reiner; Larsen, Emil Mickey Hilligsøe; Aggelund, Patrick Alexander; Fromsejer, Rasmus; Hemmingsen, Lars Bo Stegeager; Sauer, Stephan P. A.; Lupascu, Doru C.; Amaral, Vitor S.
I: Physical Review Letters, Bind 126, Nr. 10-12, 103001, 11.03.2021.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
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TY - JOUR
T1 - Free molecule studies by perturbed γ-γ angular correlation
T2 - A new path to accurate nuclear quadrupole moments
AU - Haas, Heinz
AU - Röder, Jens
AU - Correia, Joao G.
AU - Schell, Juliana
AU - Fenta, Abel S.
AU - Vianden, Reiner
AU - Larsen, Emil Mickey Hilligsøe
AU - Aggelund, Patrick Alexander
AU - Fromsejer, Rasmus
AU - Hemmingsen, Lars Bo Stegeager
AU - Sauer, Stephan P. A.
AU - Lupascu, Doru C.
AU - Amaral, Vitor S.
PY - 2021/3/11
Y1 - 2021/3/11
N2 - Accurate nuclear quadrupole moment values are essential as benchmarks for nuclear structure models and for the interpretation of experimentally determined nuclear quadrupole interactions in terms of electronic and molecular structure. Here we present a novel route to such data by combining perturbed γ-γ angular correlation measurements on free small linear molecules, realized for the first time within this work, with state-of-the-art ab initio electronic structure calculations of the electric field gradient at the probe site. This approach, also feasible for a series of other cases, is applied to Hg and Cd halides, resulting in Q(199Hg,5/2-) = +0.674(17) b and Q(111Cd,5/2+) = +0.664(7) b.
AB - Accurate nuclear quadrupole moment values are essential as benchmarks for nuclear structure models and for the interpretation of experimentally determined nuclear quadrupole interactions in terms of electronic and molecular structure. Here we present a novel route to such data by combining perturbed γ-γ angular correlation measurements on free small linear molecules, realized for the first time within this work, with state-of-the-art ab initio electronic structure calculations of the electric field gradient at the probe site. This approach, also feasible for a series of other cases, is applied to Hg and Cd halides, resulting in Q(199Hg,5/2-) = +0.674(17) b and Q(111Cd,5/2+) = +0.664(7) b.
U2 - 10.1103/PhysRevLett.126.103001
DO - 10.1103/PhysRevLett.126.103001
M3 - Journal article
C2 - 33784142
VL - 126
JO - Physical Review Letters
JF - Physical Review Letters
SN - 0031-9007
IS - 10-12
M1 - 103001
ER -
ID: 255988145