Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Matrix elements between antisymmetrized products

We consider first a single determinant, written according to (3.1.5) as an antisymmetrized product [Pg.61]

The integrand will thus contain (iV ) products, each of the form [Pg.62]

The expectation value of the 1-electron part of the Hamiltonian, namely h(i), will reduce to the sum of N identical terms, since the coordinates of each electron appear synunetrically in the corresponding integrand, and by the same kind of arguments u above it is easy to show that [Pg.62]

The expectation value of T, g(i, ) involves slightly more subtle considerations, since contributions may arise from terms which differ by an interchange of two electrons but an essentially similar argument shows that [Pg.62]

Thus the expectation value of the energy (i.e. the diagonal matrix element of H) with a normalized determinant (3.3.3) is [Pg.63]


The so-called Slater-Condon rules express the matrix elements of any one-electron (F) plus two-electron (G) additive operator between pairs of antisymmetrized spin-orbital products that have been arranged (by permuting spin-orbital ordering) to be in so-called maximal coincidence. Once in this order, the matrix elements between two such Slater determinants (labelled > and are summarized as follows ... [Pg.2196]

The interaction occurs between half-filled shell states K) and IL) which possess different parities with respect to CL, ttk and ttl, respectively. This implies that necessarily the configurations are different, i.e., I A") lL), and also that the product of parities ttkttl has the value — 1. The hypothesis that Tt% is antisymmetric under time reversal is represented in equation (32) by setting thm = —1. It follows that the interaction matrix element (LlH lK) must vanish if these criteria are met. [Pg.40]


See other pages where Matrix elements between antisymmetrized products is mentioned: [Pg.61]    [Pg.61]    [Pg.264]    [Pg.40]    [Pg.263]   


SEARCH



Antisymmetric

Antisymmetric matrices

Antisymmetrization

Matrix element

© 2024 chempedia.info