Ab initio SCF and limited CI calculations of the d-d transitions in cobalt oxide

By Johansen Helge   Wahlgren Ulf  

Molecular Physics, Vol. 33, Iss. 3, 1977-03 ,pp. : 651-661

Taylor & Francis Ltd

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Ab initio study of the ground and excited states of hydrogen sulphide using SCF and CI calculations

By Guest M.F.   Rodwell W.R.  

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Ab-initio CI calculations for 3d transition metal L2,3 X-ray absorption spectra of TiCl4 and VOCl3

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Journal of Physics: Conference Series , Vol. 190, Iss. 1, 2009-11 ,pp. : 45-54

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Geometry optimization in ab initio SCF calculations

By Huber Hanspeter  

Molecular Physics, Vol. 42, Iss. 1, 1981-01 ,pp. : 239-241

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First principles study of d→d excitations in bulk NiO

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