Abstract

We study some properties of the BH − 4 ion through the recently developed variational cellular method for polyatomic systems. The total energy, the B-H equilibrium distance, the breathing mode frequency and SCF vertical ionization potentials (VIP's) are calculated. Some approximated calculation for the VIP's are also made, being suggested a prescription for rapid and precise estimations. We also perform calculations including a Watson sphere, being shown that its effects can be removed from the total energy and the VIP's calculations. A charge analysis indicates a charge decreasing near the hydrogen sites, relative to the atomic charge density.

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