Generalised non-muffin-tin multiple scattering theory

Journal Article (Journal Article)

The author presents a derivation of generalised multiple scattering (MS) theory for finite systems such as molecules, atomic clusters and nuclei. It eliminates the need for the muffin-tin approximation (MTA) in the MS methods commonly used in quantum chemistry (e.g., in the X alpha -SCW method). It is completely separable and does not contain the near-field error common to previous attempts to construct a generalised theory. The generalised equations are identical to the well known MTA MS equations, but with the correct definition of the cellular T matrix.

Full Text

Duke Authors

Cited Authors

  • Brown, RG

Published Date

  • December 1, 1988

Published In

Volume / Issue

  • 21 / 11

International Standard Serial Number (ISSN)

  • 0953-4075

Digital Object Identifier (DOI)

  • 10.1088/0953-4075/21/11/008

Citation Source

  • Scopus