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A new approach to crystal spin calculation during deformation texture development

✍ Scribed by R.E Bolmaro; A Fourty; A Roatta; M.A Bertinetti; P.A Turner; J.W Signorelli

Book ID
114386042
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
630 KB
Volume
43
Category
Article
ISSN
1359-6462

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πŸ“œ SIMILAR VOLUMES

Transferable integrals in a deformation-
Transferable integrals in a deformation-density approach to crystal orbital calculations. I
✍ John Avery πŸ“‚ Article πŸ“… 1979 πŸ› John Wiley and Sons 🌐 English βš– 499 KB

## Abstract In the usual __ab initio__ method of calculating molecular orbitals, the number of integrals to be evaluated increases as __M__^4^, where __M__ is the number of basis functions. In this paper, an alternative method is discussed, where the computation time increases much less violently w

Transferable integrals in a deformation-
Transferable integrals in a deformation-density approach to crystal orbital calculations. II
✍ John Avery; Erik Berg πŸ“‚ Article πŸ“… 1979 πŸ› John Wiley and Sons 🌐 English βš– 903 KB

## Abstract A new method for calculating crystal orbitals in the Hartree‐Fock‐Slater approximation is proposed. The method makes use of x‐ray crystallographic measurements of the deformation density, and uses transferable integrals to treat the neutral–atom potentials. Methods for evaluating matrix

Transferable integrals in a deformation
Transferable integrals in a deformation density approach to crystal calculations. I. Crystal harmonics and their properties
✍ John Avery; Per-Johan Ørmen; Ibha Chatterjee πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 English βš– 1023 KB

## Abstract The term β€œcrystal harmonic” is introduced to denote a symmetrized plane wave in the special case where the wave vector is a reciprocal lattice vector. Crystal harmonics, thus defined, have the translational symmetry of the lattice, and they also have the transformation properties of the