Linear-scaling total-energy calculations with the tight-binding Korringa-Kohn-Rostoker Green function method

By Zeller R.  

Philosophical Magazine, Vol. 88, Iss. 18-20, 2008-06 ,pp. : 2807-2815

Taylor & Francis Ltd

Access to resources Recommend Favorite

A real-space full-potential localized LMTO method for non-collinear magnetism

By Galanakis I.   Alouani M.   M.Wills J.   Dreysse H.  

Philosophical Magazine B, Vol. 78, Iss. 5-6, 1998-11 ,pp. : 463-467

Taylor & Francis Ltd

Access to resources Recommend Favorite

Full-potential calculations using the generalized-gradient corrections: structural properties of Ti, Zr and Hf under compression

By Jomard G.   Magaud L.   Pasturel A.  

Philosophical Magazine B, Vol. 77, Iss. 1, 1998-01 ,pp. : 67-74

Taylor & Francis Ltd

Access to resources Recommend Favorite

Symmetrical tilt grain boundaries in bcc transition metals: comparison of semiempirical with ab-initio total-energy calculations

By Ochs T.   Elsässer C.   Mrovec M.   Vitek V.   Belak J.   Moriarty J. A.  

Philosophical Magazine. A. Physics of Condensed Matter. Defects and Mechanical Properties, Vol. 80, Iss. 10, 2000-10 ,pp. : 2405-2423

Taylor & Francis Ltd

Access to resources Recommend Favorite

Calculation of electronic energy and density of state of iron-disilicides using a total-energy pseudopotential method, CASTEP

By Imai Y.   Mukaida M.   Tsunoda T.  

Thin Solid Films, Vol. 381, Iss. 2, 2001-01 ,pp. : 176-182

Elsevier

Access to resources Recommend Favorite