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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 32, 1976 - Issue 4
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Research notes

A plain man's view of the muffin-tin approximation in molecular calculations, and the solid state

I.P. Grant Chemistry Department, McGill University, Montreal, Canada; Theoretical Chemistry Department, 1 South Parks Road, OxfordView further author information
&
M.A. Whitehead Chemistry Department, McGill University, Montreal, Canada
Pages 1181-1185 | Received 01 Jun 1976, Published online: 23 Aug 2006

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AnikoE. Foti, VedeneH. Smith$suffix/text()$suffix/text(), S. Kishner, M.S. Gopinathan & M.A. Whitehead. (1978) Comparison of SCF-Xα-SW and CNDO/BW calculations on S4N4H4 and F4S4N4 . Molecular Physics 35:1, pages 111-127.
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Articles from other publishers (8)

Ritimukta Sarangi, Patrick Frank, Maurizio Benfatto, Silvia Morante, Velia Minicozzi, Britt Hedman & Keith O. Hodgson. (2012) The x-ray absorption spectroscopy model of solvation about sulfur in aqueous L-cysteine. The Journal of Chemical Physics 137:20.
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Patrick Frank, Maurizio Benfatto, Britt Hedman & Keith O. Hodgson. (2008) Solution [Cu(amm)] 2+ is a Strongly Solvated Square Pyramid: A Full Account of the Copper K-edge XAS Spectrum Within Single-Electron Theory . Inorganic Chemistry 47:10, pages 4126-4139.
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H. Razafinjanahary, F. Rogemond & H. Chermette. (2004) Incidence of the muffin‐tin approximation on the electronic structure of large clusters calculated by the MS – LSD method: The typical case of C 60 . International Journal of Quantum Chemistry 51:5, pages 319-328.
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S. C. Kao & T. J. Tseng. (2004) The MT‐MSXα(R) method: Applications to Li 2 , F 2 , and N 2 molecules . Journal of Computational Chemistry 9:8, pages 890-892.
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J.M. Dyke, A. Morris, A.M.A. Ridha & J.G. Snijders. (1982) Gas phase high temperature photoelectron spectroscopy: The tin monoxide molecule. Chemical Physics 67:3, pages 245-253.
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John R. RumbleJr.Jr. & Donald G. Truhlar. (1980) Investigation of the assumptions of the multiple-scattering method for electron–molecule scattering cross sections. The Journal of Chemical Physics 72:5, pages 3206-3210.
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Pekka Pyykkö. 1978. Advances in Quantum Chemistry Volume 11. Advances in Quantum Chemistry Volume 11 353 409 .
D.S. Boudreaux & R.R. Chance. (1977) Electronic structure of the polydiacetylenes: effect of bond length variations in a model system. Chemical Physics Letters 51:2, pages 273-278.
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