Big Chemical Encyclopedia

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

Articles Figures Tables About

Renormalization perturbation theory

The reconstruction functionals may be understood as substantially renormalized many-body perturbation expansions. When exact lower RDMs are employed in the functionals, contributions from all orders of perturbation theory are contained in the reconstructed RDMs. As mentioned previously, the reconstruction exactly accounts for configurations in which at least one particle is statistically isolated from the others. Since we know the unconnected p-RDM exactly, all of the error arises from our imprecise knowledge of the connected p-RDM. The connected nature of the connected p-RDM will allow us to estimate the size of its error. For a Hamiltonian with no more than two-particle interactions, the connected p-RDM will have its first nonvanishing term in the (p — 1) order of many-body perturbation theory (MBPT) with a Hartree-Fock reference. This assertion may be understood by noticing that the minimum number of pairwise potentials V required to connectp particles completely is (p — 1). It follows from this that as the number of particles p in the reconstmcted RDM increases, the accuracy of the functional approximation improves. The reconstmction formula in Table I for the 2-RDM is equivalent to the Hartree-Fock approximation since it assumes that the two particles are statistically independent. Correlation corrections first appear in the 3-RDM functional, which with A = 0 is correct through first order of MBPT, and the 4-RDM functional with A = 0 is correct through second order of MBPT. [Pg.178]

Importantly, the anti-Hermitian CSE may be evaluated through second order of a renormalized perturbation theory even when the cumulant 3-RDM is neglected in the reconstruction. The anti-Hermitian part of the CSE [27, 31, 63] is the stationary condition for two-body unitary transformations of the A-particle wave-function [31, 32], and hence the two-body unitary transformations may easily be evaluated with the anti-Hermitian CSE and RDM reconstruction without the many-electron Schrodinger equation. The contracted Schrodinger equation in conjunction with the concepts of reconstruction and purification provides a new, important approach to computing the 2-RDM directly without the many-electron wavefunction. [Pg.198]

Using cumulant reconstruction functionals A3[Ai, A2] and A4[Ai, A2], one can certainly derive closed, nonlinear equations for the elements of Ai and A2, which could be solved using an iterative procedure that does not exploit the reconstruction functionals at each iteration. Of the RDM reconstruction functionals derived to date, several [7, 8, 11] utilize the cumulant decompositions in Eqs. (25c) and (25d) to obtain the unconnected portions of D3 and D4 exactly (in terms of the lower-order RDMs), then use many-body perturbation theory to estimate the connected parts A3 and A4 in terms of Aj and A2, the latter essentially serving as a renormalized pair interaction. Reconstruction functionals of this type are equally useful in solving ICSE(l) and ICSE(2), but the reconstruction functionals introduced by Valdemoro and co-workers [25, 26] cannot be used to solve the ICSEs because they contain no connected terms in D3 or D4 (and thus no contributions to A3 or A4). [Pg.288]

Each of the reconstructions contains many contributions from higher orders of perturbation theory via the 1- and 2-RDMs and thus may be described as highly renormalized. The CSE requires a second-order correction of the 3-RDM functional to generate second-order 2-RDMs and energies, but the ACSE can produce second-order 2-RDMs and third-order energies from only a first-order reconstruction of the 3-RDM. [Pg.334]

The parameter X has been embedded in the definition of Hp. The wave function from perturbation theory [equation (A.109)] is not normalized and must be renormalized. The energy of a truncated perturbation expansion [equation (A.110)] is not variational, and it may be possible to calculate energies lower than experimental. ... [Pg.244]

Even for d < 4 the question of existence of the continuous chain limit is not completely trivial. The problem is most easily analyzed by taking a Laplace transform with respect to the chain length, which results in the held theoretic representation of polymer theory. In field theory it is not hard to show that the limit — 0 can be taken only after a so-called additive renormalization we first have to extract some contributions which for — 0 would diverge. The extracted terms can be absorbed into a 1 renormalization he. a redefinition of the parameters of the model. Transfer riling back to polymer theory we find that this renormalization just shifts the chemical potential per segment. We thus can prove the following statement after an appropriate shift of the chemical potential the continuous chain limit for d < 4 can be taken order by order in perturbation theory. In this sense the continuous chain model or two parameter theory are a well defined limit of our model of discrete Gaussian chains. [Pg.104]

In Chap. 6 we learned that in the excluded volume limit ftc > 0,n —> oo, the cluster expansion breaks down, simply because it orders according to powers of z = j3enef2 —> oo. To proceed, we need a new idea, going beyond perturbation theory. The new concept is known as the Renormalization Group (RG), which postulates, proves, and exploits the fascinating scale invariance property of the theory. [Pg.128]

Let us now embed the renormalization group, Constructed in Chap. 8, iftto this general framework. As mentioned above, relation (8.5) shows that the RG we are searching for must be a nonlinear representation of the group of dilatations in the space of parameters. , n,/ e). These are the microscopic parameters of the model, and the representation shall leave macroscopic observables invariant. Furthermore we want the representation to show a nontrivial fixed point. In Sect. 8.2 we have constructed such a representation based on first order perturbation theory. The invariance constraint is obeyed within deviations of order 1+e 2, no = n(A = 1). Equations (8.38), (8.42) give the parameter flow under this nonlinear representation in the standard form (10.28),... [Pg.165]

In this part,we first explain in general terms the construction of renormalized perturbation theory. We show how the RG results from the arbitrariness of r and establish the general scaling form (Chap. 11). We then turn to the specific technique of minimal subtraction and show how to calculate the scaling functions (Chap. 12). The RG mapping, used in the sequel, is presented and discussed in Chap. 13. We finally (Chap. 14) illustrate the theory with an evaluation of the tree approximation. [Pg.178]

Renormalized Perturbation Theory and Field-Theoretic Renormalization Group... [Pg.179]

Such a formulation indeed exists and is known as renormalized perturbation theory The construction uses a modified form of the continuous chain limit. As explained in Chap. 7, naively the continuous chain limit — 0 is taken with R2 = i2n,z = 0en f2 fixed. In results like (4.16 ii) ... [Pg.179]

Having constructed renormalized perturbation theory, in a further step we have to determine the renormalized parameters u, tir as functions of / e, n, / r. As it stands, Eq. (11.1) cannot be used for that purpose, since the Taylor expansion of the renormalization factors suffers from ail the drawbacks of the unrenormalized cluster expansion. A priori, in strict e-expansion it orders according to powers of u ln / n). Now the renormalized perturbation... [Pg.181]

In Chap. 8 we have constructed the renormalization group, starting from bare perturbation theory for the discrete chain model. This expansion involves nonuniversal microstructure corrections which we will now absorb into renormalization factors, introduced via a redefinition of the interaction constant and the chain length, According to Eq. (11.1) we write... [Pg.182]

Furthermore this result generalizes to arbitrary order of renormalized perturbation theory. The renormalized expansion therefore yields microstructure-independent scaling functions reproducing the physical observables up to negligible corrections. [Pg.185]


See other pages where Renormalization perturbation theory is mentioned: [Pg.2]    [Pg.2]    [Pg.167]    [Pg.105]    [Pg.266]    [Pg.25]    [Pg.15]    [Pg.399]    [Pg.399]    [Pg.344]    [Pg.15]    [Pg.45]    [Pg.61]    [Pg.11]    [Pg.77]    [Pg.116]    [Pg.127]    [Pg.140]    [Pg.141]    [Pg.141]    [Pg.161]    [Pg.171]    [Pg.172]    [Pg.174]    [Pg.178]    [Pg.178]    [Pg.179]    [Pg.180]    [Pg.180]    [Pg.181]    [Pg.182]    [Pg.182]    [Pg.183]    [Pg.184]    [Pg.186]    [Pg.186]   
See also in sourсe #XX -- [ Pg.256 ]




SEARCH



Illustration of renormalized perturbation theory

Parameter dependence of renormalized perturbation theory

Renormalization

© 2024 chempedia.info