Dictionary order

We will put these functions in what is called dictionary order... 

Hence the subscript p in (9.130) is determined by the subscripts i and k, whereas q is determined by j and /. The dictionary-order convention (9.128) then gives... 

In order to take into account the two-electron interaction terms we define a supermatrix notation that we illustrate for The components of a supervector t are the matrix elements t ij in dictionary order. Supervectors are transformed by supermatrices. We need the supermatrix V, defined by... 

Given the four labels (in the correct reverse-dictionary order) and the value of an electron-repulsion integral plus the information whether this particular integral is the last one in the file or not, putint had to arrange to put the integral into a file. 

RCS version control, 186, 248, 256, 306, 308-309 details, 310-313 repeat statement, 118 repulsion integral processing, 142-147 response matrix, 637 Restricted Hartree-Fock, see RHF Restricted open-shell Hartree-Fock, see ROHF reverse dictionary order, 275, 449 (R)GUHF, see GUHF RHF, 314 Ring, P., 630 ROHF, 407 RPA, 621-628 history of name, 629 Rumer, G., 542n Rys polynomials, 228n, 233... 

Of course, it is only necessary to store one of the (up to) eight integrals with the same value which differ only in allowed permutations of the labels. By convention, the one with reverse dictionary order in the labels is stored ... 

If we arrange to generate the labels in the usual canonical reverse dictionary order... 

Tlie coelBicients of all spin-orbital products involving the same selection of spin-orbitals (differing only in their order), can therefore differ only in sign. If we use Cab...x for the coefficient of the products in which the in-orbitals occur in a standard order (e.g. ""dictionary order) and abbreviate this particular ordered set to jc, it follows that... 

It is of course unnecessary to allow all permutations of labels, since, for example, ji) - - ij) and we want only a single linearly independent set of kets we normally adopt the set in which the labels occur in dictionary order. One vector of the Fock space is that which represents the vacuum , with no particles present thus typical vectors are... 

---