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• W2079069544 abstract "Basis-set all-electron Dirac - Fock calculations for the ground state of the molecule are presented. Four-component molecular spinors are taken to be linear combinations of kinetically balanced spherical Gaussian spinors centred on the nuclei. The nuclei are modelled as spherical Gaussian distributions of positive charge. An uncontracted basis set with 28s, 28p, 12d and 8f basis spinors on the Tl centre, and 22s and 16p basis spinors on the F centre, yields an equilibrium bond length of ; the dissociation energy is found to be ; experimental values are, respectively, and ." @default.
• W2079069544 created "2016-06-24" @default.
• W2079069544 creator A5077173356 @default.
• W2079069544 date "1997-09-14" @default.
• W2079069544 modified "2023-10-05" @default.
• W2079069544 title "Electric-dipole hyperfine matrix elements of the ground state of the TlF molecule in the Dirac - Fock approximation" @default.
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• W2079069544 doi "https://doi.org/10.1088/0953-4075/30/17/022" @default.
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