Shape polarization and coexistence of high-K three-quasiparticle states in odd-mass N = 106 isotones

This dataset contains all the calculated potential energy surfaces (PES) for 1-quasiparticle and 3-quasiparticle configurations that are involved in the paper entitled "Shape polarization and coexistence of high-K three-quasiparticle states in odd-mass N = 106 isotones", which is accepted by Nuclear Science and Techniques. The calculated deformations are given in the corresponding configuration-constrained PES's. The calculated excitation energy can be obtained as the energy differnece between the PES minimum of the excited configuration and that of the ground-state configuration. The abstract of the paper is as follows: The Three-quasiparticle K-isomeric states in odd-mass N = 106 isotones within the A ∼ 180 mass region are systematically investigated using configuration-constrained potential energy surface calculations. The calculations successfully reproduce the excitation energies and deformations of known high-K isomers in the nuclei from 175Tm to 181Re. For the nuclei closer to the Z = 82 shell closure (183Ir, 185Au, and 187Tl), predictions for the configurations of observed and yet-to-be-observed isomers are provided. The results reveal strong shape polarization, where the three-quasiparticle states are driven to larger deformations compared to the often shape-soft or spherical ground states. A particularly rich spectrum of shape coexistence is predicted in 187Tl, where several high-K three-quasiparticle configurations with distinct prolate, oblate, and triaxial shapes are found to coexist at similar excitation energies. Notably, the oblate-deformed Kπ = 29/2+ configuration at Ex = 1839 keV is proposed to be responsible for a long-lived isomer. This study provides a comprehensive picture of shape evolution and coexistence in high-K multi-quasiparticle states, offering valuable insights for future experimental research.