Skip to main content
Journal cover image

Generalised non-muffin-tin multiple scattering theory

Publication ,  Journal Article
Brown, RG
Published in: Journal of Physics B: Atomic, Molecular and Optical Physics
December 1, 1988

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.

Duke Scholars

Published In

Journal of Physics B: Atomic, Molecular and Optical Physics

DOI

ISSN

0953-4075

Publication Date

December 1, 1988

Volume

21

Issue

11

Related Subject Headings

  • General Physics
  • 0307 Theoretical and Computational Chemistry
  • 0205 Optical Physics
  • 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics
 

Citation

APA
Chicago
ICMJE
MLA
NLM
Brown, R. G. (1988). Generalised non-muffin-tin multiple scattering theory. Journal of Physics B: Atomic, Molecular and Optical Physics, 21(11). https://doi.org/10.1088/0953-4075/21/11/008
Brown, R. G. “Generalised non-muffin-tin multiple scattering theory.” Journal of Physics B: Atomic, Molecular and Optical Physics 21, no. 11 (December 1, 1988). https://doi.org/10.1088/0953-4075/21/11/008.
Brown RG. Generalised non-muffin-tin multiple scattering theory. Journal of Physics B: Atomic, Molecular and Optical Physics. 1988 Dec 1;21(11).
Brown, R. G. “Generalised non-muffin-tin multiple scattering theory.” Journal of Physics B: Atomic, Molecular and Optical Physics, vol. 21, no. 11, Dec. 1988. Scopus, doi:10.1088/0953-4075/21/11/008.
Brown RG. Generalised non-muffin-tin multiple scattering theory. Journal of Physics B: Atomic, Molecular and Optical Physics. 1988 Dec 1;21(11).
Journal cover image

Published In

Journal of Physics B: Atomic, Molecular and Optical Physics

DOI

ISSN

0953-4075

Publication Date

December 1, 1988

Volume

21

Issue

11

Related Subject Headings

  • General Physics
  • 0307 Theoretical and Computational Chemistry
  • 0205 Optical Physics
  • 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics