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The electronic structure of polymers by the FSGO (Floating Spherical Gaussian Orbital) method

✍ Scribed by David R. Armstrong; John Jamieson; Peter G. Perkins

Publisher
Springer
Year
1980
Tongue
English
Weight
415 KB
Volume
57
Category
Article
ISSN
1432-2234

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πŸ“œ SIMILAR VOLUMES

Capability of pseudopotential methods to
Capability of pseudopotential methods to simulate all-electron calculations with floating spherical gaussian orbitals
✍ J.C. Barthelat; Ph. Durand πŸ“‚ Article πŸ“… 1976 πŸ› Elsevier Science 🌐 English βš– 290 KB

A pseudopotential method has been applied to the calculation of local molecular orbit& for the water molecule in its ground state. Calculated values of the bond length and of the bond angle are in good agreement with those obtained from analogous calculations involving all the electrons. Comparison

The floating spherical gaussian orbital
The floating spherical gaussian orbital model and shape of B2H5 ion
✍ R. C. Rastogi; N. K. Ray πŸ“‚ Article πŸ“… 1977 πŸ› John Wiley and Sons 🌐 English βš– 230 KB

## Abstract The FSGO model has been used to make __ab initio__ calculations of the geometry of B~2~H ion. The results indicate that the acetylenic structure has the lowest energy (βˆ’43.881 a.u.) and the planar structure has the highest energy (βˆ’43.838 a.u.). The energy of the non‐symmetric structure