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Self-consistent Held theory

The self-consistent held theory is based on a lattice model [23-26]. Each chain is subdivided into segments with ranking number s = 1,2,3,..., N and these segments can take only discrete positions with respect to the surface in lattice layers numbered z = 1, 2, 3,... [23]. The spacing, I, between the lattice layers is equal to the bond length a. The length a is the invariant indifference lattice and I is not, so its value should be adjusted to 2 according 1 =... [Pg.747]

A number of types of calculations begin with a HF calculation and then correct for correlation. Some of these methods are Moller-Plesset perturbation theory (MPn, where n is the order of correction), the generalized valence bond (GVB) method, multi-conhgurational self-consistent held (MCSCF), conhgu-ration interaction (Cl), and coupled cluster theory (CC). As a group, these methods are referred to as correlated calculations. [Pg.22]

As often happens in self-consistent Held calculations (e.g., in the Har-tree theory of atoms) the two errors (i) and (ii) cancel each other to a large extent. Many post-Flory attempts, which tried to improve on one term, (i) or (ii), leaving the other unaltered, led to results that were power than eq. (1.39). [Pg.46]

Before going further in our analysis of the principles of enzyme action, we must say a few words about a widely held opinion among biochemists. Many of them think that there exists a general theory of catalysis in chemistry, and we need only to apply this theory to the more complex enzyme reactions. We think that this opinion is misleading. There is no such thing as a more-or-less self-consistent general theory of catalysis. [Pg.86]

Swelling with a nonselective solvent causes modification of d as well. Banaszak Whitmore extended earlier self-consistent field theory studies to selective solvent swelling of symmetric block copolymers, assuming Cab = Csb and Csa = 0 (non-interacting)." They found the relationships in Eqn. 5 held, where for strong segregation p 0.2, q 0.7, and r 0.2 (near identical to values for a nonselective solvent), and weak segregation, p 0.5, q 0.9, and r 0.5. [Pg.19]

Self-Consistent Mean-Held Theory of Helfand... [Pg.78]


See other pages where Self-consistent Held theory is mentioned: [Pg.55]    [Pg.26]    [Pg.26]    [Pg.271]    [Pg.99]    [Pg.330]    [Pg.55]    [Pg.26]    [Pg.26]    [Pg.271]    [Pg.99]    [Pg.330]    [Pg.11]    [Pg.31]    [Pg.123]    [Pg.453]    [Pg.214]    [Pg.326]    [Pg.9]    [Pg.8]    [Pg.712]    [Pg.310]    [Pg.82]    [Pg.446]    [Pg.153]   
See also in sourсe #XX -- [ Pg.16 ]




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Self-consistent Held

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