The Calculation of Electronic Properties of BH<sub>4</sub><sup>-</sup>, CH<sub>4</sub> and NH<sub>4</sub><sup>+</sup> using One-centre Self-consistent Field Wave Functions
E L Albasiny; J R A Cooper; E L Albasiny; National Physical Laboratory, Teddington, Middlesex; J R A Cooper; National Physical Laboratory, Teddington, Middlesex
Журнал:
Proceedings of the Physical Society
Дата:
1963-08-01
Аннотация:
Self-consistent field wave functions are computed for the isoelectronic systems BH<sub>4</sub><sup>-</sup>, CH<sub>4</sub> and NH<sub>4</sub><sup>+</sup> for various values of the bond length using the one-centre method. These wave functions are used to determine theoretical values for the energy, bond length, force constant, electronic charge density, multipole moments, diamagnetic susceptibility and polarizability.
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