New formalism for the SCF-Xα-SW model with application to large molecular systems or atomic clusters

@inproceedings{Ren1993NewFF,
  title={New formalism for the SCF-Xα-SW model with application to large molecular systems or atomic clusters},
  author={Wei Ren and Z. Liu and H. Ho},
  year={1993}
}
Abstract A new formalism for the SCF-Xα-SW model suitable for treatment of some large molecular systems or atomic clusters is presented via the efficient recursive aggregate T -matrix algorithms developed recently in electromagnetics. The space is divided into two regions and the original problem is treated as a two-body scattering problem: one scatterer is an assembly of the N atoms characterized by the aggregate T -matrix, the other is the outer sphere in the muffin tin approximation. This… CONTINUE READING