Relativistic calculations on the transition electric dipole moments and radiative lifetimes for the spin-forbidden transitions in antimony hydride molecule

Abstract

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.