Nuclear anapole moment interaction in BaF from relativistic coupled-cluster theory

Yongliang Hao; Miroslav Iliaš; Ephraim Eliav; Peter Schwerdtfeger; Victor V. Flambaum; Anastasia Borschevsky

doi:https://doi.org/10.1103/PhysRevA.98.032510

Nuclear anapole moment interaction in BaF from relativistic coupled-cluster theory

Yongliang Hao, Miroslav Iliaš, Ephraim Eliav, Peter Schwerdtfeger, Victor V. Flambaum, Anastasia Borschevsky

School of Chemistry

Tel Aviv University

Research output: Contribution to journal › Article › peer-review

Abstract

We present high-accuracy relativistic coupled-cluster calculations of the P-odd interaction coefficient WA describing the nuclear anapole moment effect on the molecular electronic structure. The molecule under study, BaF, is considered a promising candidate for the measurement of the nuclear anapole moment, and the preparation for the experiment is now underway [E. Altuntaş, Phys. Rev. Lett. 120, 142501 (2018)PRLTAO0031-900710.1103/PhysRevLett.120.142501]. The influence of various computational parameters (size of the basis set, treatment of relativistic effects, and treatment of electron correlation) on the calculated WA coefficient is investigated and a recommended value of 147.7Hz with an estimated uncertainty of 1.5% is proposed.

Original language	English
Article number	032510
Journal	Physical Review A
Volume	98
Issue number	3
DOIs	https://doi.org/10.1103/PhysRevA.98.032510
State	Published - 27 Sep 2018

All Science Journal Classification (ASJC) codes

Atomic and Molecular Physics, and Optics

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https://doi.org/10.1103/PhysRevA.98.032510

Cite this

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title = "Nuclear anapole moment interaction in BaF from relativistic coupled-cluster theory",

abstract = "We present high-accuracy relativistic coupled-cluster calculations of the P-odd interaction coefficient WA describing the nuclear anapole moment effect on the molecular electronic structure. The molecule under study, BaF, is considered a promising candidate for the measurement of the nuclear anapole moment, and the preparation for the experiment is now underway [E. Altunta{\c s}, Phys. Rev. Lett. 120, 142501 (2018)PRLTAO0031-900710.1103/PhysRevLett.120.142501]. The influence of various computational parameters (size of the basis set, treatment of relativistic effects, and treatment of electron correlation) on the calculated WA coefficient is investigated and a recommended value of 147.7Hz with an estimated uncertainty of 1.5% is proposed.",

author = "Yongliang Hao and Miroslav Ilia{\v s} and Ephraim Eliav and Peter Schwerdtfeger and Flambaum, {Victor V.} and Anastasia Borschevsky",

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AU - Hao, Yongliang

AU - Iliaš, Miroslav

AU - Eliav, Ephraim

AU - Schwerdtfeger, Peter

AU - Flambaum, Victor V.

AU - Borschevsky, Anastasia

PY - 2018/9/27

Y1 - 2018/9/27

N2 - We present high-accuracy relativistic coupled-cluster calculations of the P-odd interaction coefficient WA describing the nuclear anapole moment effect on the molecular electronic structure. The molecule under study, BaF, is considered a promising candidate for the measurement of the nuclear anapole moment, and the preparation for the experiment is now underway [E. Altuntaş, Phys. Rev. Lett. 120, 142501 (2018)PRLTAO0031-900710.1103/PhysRevLett.120.142501]. The influence of various computational parameters (size of the basis set, treatment of relativistic effects, and treatment of electron correlation) on the calculated WA coefficient is investigated and a recommended value of 147.7Hz with an estimated uncertainty of 1.5% is proposed.

AB - We present high-accuracy relativistic coupled-cluster calculations of the P-odd interaction coefficient WA describing the nuclear anapole moment effect on the molecular electronic structure. The molecule under study, BaF, is considered a promising candidate for the measurement of the nuclear anapole moment, and the preparation for the experiment is now underway [E. Altuntaş, Phys. Rev. Lett. 120, 142501 (2018)PRLTAO0031-900710.1103/PhysRevLett.120.142501]. The influence of various computational parameters (size of the basis set, treatment of relativistic effects, and treatment of electron correlation) on the calculated WA coefficient is investigated and a recommended value of 147.7Hz with an estimated uncertainty of 1.5% is proposed.

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M3 - مقالة

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JO - Physical Review A

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Nuclear anapole moment interaction in BaF from relativistic coupled-cluster theory

Abstract

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