Big Chemical Encyclopedia

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

Articles Figures Tables About

Recursive-Green-function treatment

In this section, we construct the GF for a finite chain with an applied held (Davison et al 1997), by using the CF elements of the recursion method (Haydock 1980) and thereby build the GF atom-by-atom, in a similar way as the causal-surface GF approach (Pendry et al 1991). [Pg.123]

The system is defined as a linear chain of m lattice sites (labelled n = 1, .m), which are initially taken as isolated from each other (see Fig. 7.2(a)), so that the GF Gm.m for this state has simple diagonal elements [Pg.123]

Returning to the initial GF (7.20), we now modify the system, by adding a single bond of energy fim 1 m between sites m — l and m. We can obtain the GF i m from Gm m by means of the Dyson equation (3.3) [Pg.124]

The above recursive process, for the 2-atom chain, can now be repeated for the 3-atom case. The Dyson equation analogous to (7.23) is [Pg.125]

The recursive procedure can be applied repeatedly, with one more atom being bonded to the growing chain at each step, producing GF s in CF form similar to those of (7.29) and (7.34). After (m — 1) iterations, all m (initially isolated) atoms are joined, and the GF at the n = 1 site has CF form [Pg.126]


See other pages where Recursive-Green-function treatment is mentioned: [Pg.123]    [Pg.123]    [Pg.125]    [Pg.127]    [Pg.123]    [Pg.123]    [Pg.125]    [Pg.127]   


SEARCH



Green function recursive

Greens function

Recursion

Recursive

© 2024 chempedia.info