The Method of Explicit Core-Valence Orthogonality

The Method of Explicit Core-Valence Orthogonality.—Horn and Murrell19 have proposed an approximate method for introducing core-valence orthogonality in performing valence-electron calculations, and this has been implemented in a number of papers.48-51 The outline of their scheme is as follows  

Saunders, M. F. Guest, and I. G. Vincent, ATMOL User Note No. 13, Atlas Computing Division, Rutherford Laboratory. 

Some of the results of this method are quoted in Section 4. However, it has also been used on a number of bigger molecules, for example CBr4, TeH3F, A12C1 , and the Group V tri- and penta-halides XY3 and XY5, where X=N, Sb, or As and Y = F, Cl, or Br. -51 

Alkali metals widely 59 used in the solid state 

Ab initio effective hamiltonians (i) Semi-local forms 

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