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Enhancement of parity-violating energy difference of CHFClBr, CHFClI, and CHFBrI by breaking the cancellation among valence orbital contributions

arXiv
Authors: Naoya Kuroda, Ayaki Sunaga, Masato Senami

Year

2022

Paper ID

6615

Status

Preprint

Abstract Read

~2 min

Abstract Words

158

Citations

N/A

Abstract

The enhancement of the parity-violating energy difference (PVED) by electronic excitation is studied for H2X2 $X =$ O, S, Se, Te, CHFClBr, CHFClI, and CHFBrI. To clarify the enhancement mechanism, the dihedral angle dependence of the PVED of H2X2 in excited states is studied. If the contribution from the highest occupied molecular orbital (HOMO) to the PVED in the ground state is larger than the sum of those from all occupied orbitals, the PVED in the first excited state has a much larger value compared to the ground state due to cancellation breaking among valence orbital contributions. This enhancement is named cancellation breaking enhancement. The PVED enhancement is also studied for CHFClBr, CHFClI, and CHFBrI in excited states, and the cancellation breaking enhancement is confirmed. When the PVED contribution from the HOMO is larger than any other contribution, the cancellation breaking enhancement hypothesis provides the estimate of PVED in the first excited state from the HOMO contribution.

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  • This paper contributes to the Quantum Simulation research area in the Quantum Articles archive.
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  • The enhancement of the parity-violating energy difference (PVED) by electronic excitation is studied for H2X2 X = O, S, Se, Te, CHFClBr, CHFClI, and CHFBrI.

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References & Citation Signals

[1] DOI https://doi.org/arXiv:2211.12010 [2] arXiv https://arxiv.org/abs/2211.12010 [3] Publisher https://arxiv.org/abs/2211.12010

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