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Optimum basis sets of spherical Gaussian functions and their structure for high-precision calculations of the energies of molecules in the Hartree-Fock approximation

✍ Scribed by V. N. Glushkov


Book ID
110175112
Publisher
SP MAIK Nauka/Interperiodica
Year
2006
Tongue
English
Weight
214 KB
Volume
100
Category
Article
ISSN
0030-400X

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πŸ“œ SIMILAR VOLUMES


The electronic structure of 2βˆ‘+ boron mo
✍ John R. Ball; Colin Thomson πŸ“‚ Article πŸ“… 1975 πŸ› Elsevier Science 🌐 English βš– 675 KB

The electronic structure cf 'X3+ BS has been investigated by ab-initio SCF crilculations using both GTO and ST0 basis sets. The computed bond length and hyperfine coupling constants are compared uVith experimental data. ## I. Jntroduction Boron monosulphide (BS) is one of the few diatomic radical