A first-principles Hartree-Fock description of MnO at high pressures

By Mackrodt W. C.   Williamson E.-A.   Williams D.   Allan N. L.  

Philosophical Magazine B, Vol. 77, Iss. 4, 1998-04 ,pp. : 1063-1075

Taylor & Francis Ltd

Access to resources Recommend Favorite

A first-principles Hartree-Fock interpretation of the Xray oxygen K-edge spectrum of haematite (alpha-Fe2O3)

By Mackrodt W. C.   Jollet F.   Gautier-Soyer M.  

Philosophical Magazine B, Vol. 79, Iss. 1, 1999-01 ,pp. : 25-36

Taylor & Francis Ltd

Access to resources Recommend Favorite

First principles calculation of the geometric and electronic structure of (Al 2 O 3 ) n (O x ) clusters with n<15 and x=0, 1, 2

By Fernandez E.M.   Balbas L.C.   Borstel G.   Soler J.M.  

Thin Solid Films, Vol. 428, Iss. 1, 2003-03 ,pp. : 206-210

Elsevier

Access to resources Recommend Favorite

First-principles investigation of phase stability and electronic structure of tetragonal (P4/m) Ga 3− x Al x Ti 2 ( x = 0-3) compounds

By Ghosh P.S.  

Philosophical Magazine Letters, Vol. 93, Iss. 5, 2013-05 ,pp. : 273-282

Taylor & Francis Ltd

Access to resources Recommend Favorite

Theoretical Description of Hartree-Fock Calculations under Axial Symmetry: First Results on Tin Isotopes

By Terán E.   Oberacker V.E.   Umar A.S.  

Acta Physica Hungarica A, Vol. 16, Iss. 1-4, 2002-10 ,pp. : 437-446

Akademiai Kiado

Access to resources Recommend Favorite