A RECURSIVE ALGORITHM FOR THE GENERATION OF SYMMETRY-ADAPTED FUNCTIONS - PRINCIPLES AND APPLICATIONS TO THE ICOSAHEDRAL GROUP

Authors
PRANDL W SCHIEBEL P WULF K
Citation
W. Prandl et al., A RECURSIVE ALGORITHM FOR THE GENERATION OF SYMMETRY-ADAPTED FUNCTIONS - PRINCIPLES AND APPLICATIONS TO THE ICOSAHEDRAL GROUP, Acta crystallographica. Section A, Foundations of crystallography, 52, 1996, pp. 171-175
Citations number
20
Categorie Soggetti
Crystallography
Journal title
Acta crystallographica. Section A, Foundations of crystallography → ACNP
ISSN journal
01087673
Volume
52
Year of publication
1996
Part
2
Pages
171 - 175
Database
ISI
SICI code
0108-7673(1996)52:<171:ARAFTG>2.0.ZU;2-9
Abstract
Symmetry-adapted functions (SAF's) of order L can be generated recursi vely from powers of a seed function or from products of SAF's having l ower order l. The algorithm uses a symmetry-adapted version of the dec omposition of products of spherical harmonic functions via Wigner 3-j symbols. The totally symmetric SAF's are calculated for the point grou p 2/<m(35)over bar> up to L = 30. For L = 30, the icosahedral group ha s two independent SAF's; a simple method is suggested for making a uni que choice for these two SAF's.