Dear Andrea, > Here linear combinations means tight binding linear combinations, not > combinations of different eigenstates of j^2 and j_z to obtain > eigenstates of other operators.
Thanks for your answer! > This is wrong. Nowhere in the manual there are formulas like these. It > is true that in QE we are using real spherical harmonics, but they are > combined with the correct complex coefficients to obtain complex > spherical harmonics that are combined to obtain eigenstates of j^2 and > j_z. See the transformation matrix (Eq. A2 in Phys. Rev. B 71, 115106 > (2005)). Please forgive me for my sloppy notation, I meant no disrespect for the code nor for the underlying theory. My pseudo-formulae "(j,+|m_j|) +/- (j,-|m_j|)" should not be taken seriously, they represent (in a pictorial way) the linear combinations in Eq. A1. Then again, thanks for your message! All the best, Rodrigo -------------------------------------------------------- Rodrigo Neumann Barros Ferreira PhD Student Departamento de F?sica dos S?lidos - Instituto de F?sica Universidade Federal do Rio de Janeiro Cx.Postal 68.528 21945-972, Rio de Janeiro - RJ - BRASIL Tel: [+55] (21) 2562-7341 http://www.if.ufrj.br/~neumann/ http://tmc.if.ufrj.br/ -------------------------------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120608/68ce3038/attachment.htm
