2026-10-14T15:46:03Z https://www.scidb.cn/oai

10.11922/sciencedb.j00113.00018 2022-06-14T17:12:35Z

2022-06-14 Relativistic calculations on the transition electric dipole moments and radiative lifetimes for the spin-forbidden transitions in antimony hydride molecule doi:10.11922/sciencedb.j00113.00018 en The data related to the article " Relativistic calculations on the transition electric dipole moments and radiative lifetimes for the spin-forbidden transitions in antimony hydride molecule " was published in the journal of Chinese Physics B. The transition dipole moments are listed in Supplementary Data file. The detailed contents are arranged as follows: Table I. The PECs for the X10+, X21, a2 and b0+ states with the Dyall’s quadruple-z basis set and the cutoff energy 5 a.u. Table II. The transition dipole moments of the b0+-X10+ transition; Table III. The transition dipole moments of the b0+-X21 transition; Table IV. The transition dipole moments of the X10+-X21 transition; Table V. The transition dipole moments of the X21-a2 transition. Note: the specific meanings of the letters in each table are as follows: R: internuclear distance(Å) ;(a): the results of all-electron basis set calculations under the state interaction technique; (b): the results of pseudopotential basis set calculations under the state interaction technique; (c): same as (a), but high-lying states included; (d): same as (b), but high-lying states included; (e): the results of Dyall’s 3-z basis set and energy threshold of 1 Hartree under the relativistic method; (f): the results of Dyall’s 4-z basis set and energy threshold of 1 Hartree under the relativistic method; (g): same as (e), but the energy threshold is 5 Hartree; (h): same as (f), but the energy threshold is 5 Hartree. SbH; Transition dipole moments; Spin-forbidden transition Yong Liu Lu-Lu Li Li-Dan Xiao Bing Yan PUBLIC https://creativecommons.org/licenses/by/4.0/ dataset http://www.doi.org/10.1088/1674-1056/ac6ee1 Chinese Physics B