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

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First-principles Hartree-Fock description of the electronic structure of monoclinic C2/m LixMnO2(1 greaterequal x greaterequal 0)

By Mackrodt W. C.   Williamson E.-A.  

Philosophical Magazine B, Vol. 77, Iss. 4, 1998-04 ,pp. : 1077-1092

Taylor & Francis Ltd

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Molecular structure and vibrational spectra of 4-tert-butylpyridine by density functional theory and ab initio Hartree-Fock calculations

By Kurt M.   Yurdakul M.   Yurdakul S.  

Journal of Molecular Structure: THEOCHEM, Vol. 663, Iss. 1, 2003-11 ,pp. : 127-134

Elsevier

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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.  

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Electron gas in the screening-corrected Hartree-Fock model

By Poluektov Yu.  

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