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Effective potential theory

The diagrammatic representation of the centroid density enhances one s ability to approximately evaluate the full perturbation series [3]. For example, one can focus on a class of diagrams with the same topological characteristics. The sum of such a class results in a compact analytical expression that includes infinite terms in the summation. A very useful technique in such cases is the renormalization of diagrams [57,58]. This procedure can be applied to the vertices to define the effective potential theory diagrammatically [3, 21-23] and, in doing so, an accurate approximation to the centroid density [3]. [Pg.146]

It should be noted that these equations are to be solved for each position of the centroid q. The frequency in Eq. (2.27) is the same as the effective frequency obtained for the optimized LHO reference system using the path-integral centroid density version of the Gibbs-Bogoliubov variational method [1, pp. 303-307 2, pp. 86-96], Correspondingly, Eqs. (2.27) and (2.28) are exactly the same as those in the quadratic effective potential theory [1,21-23], The derivation above does not make use of the variational principle but, instead, is the result of the vertex renormalization procedure. The diagrammatic analysis thus provides a method of systematic identification and evaluation of the corrections to the variational theory [3],... [Pg.150]

Hartree-Fock Optimized Effective Potential Theory, Density Functional Theory... [Pg.253]

Unfortunately none of the various proposed forms of the potential theory satisfy this criterion Equation XVII-78 clearly does not Eq. XVII-79 would, except that / includes the constant A, which contains the dispersion energy Uo, which, in turn, depends on the nature of the adsorbent. Equation XVII-82 fares no better if, according to its derivation, Uo reflects the surface polarity of the adsorbent (note Eq. VI-40). It would seem that after one or at most two layers of coverage, the adsorbate film is effectively insulated from the adsorbent. [Pg.654]

B. Vector-Potential Theory The Molecular Aharonov-Bohm Effect... [Pg.25]

Since the Fock operator is a effective one-electron operator, equation (1-29) describes a system of N electrons which do not interact among themselves but experience an effective potential VHF. In other words, the Slater determinant is the exact wave function of N noninteracting particles moving in the field of the effective potential VHF.5 It will not take long before we will meet again the idea of non-interacting systems in the discussion of the Kohn-Sham approach to density functional theory. [Pg.30]

Petersilka, M., Gossmann, U. J., Gross, E. K. U., 1998, Time Dependent Optimized Effective Potential in the Linear Response Regime in Electronic Density Functional Theory. Recent Progress and New Directions, Dobson, J. F., Vignale, G., Das, M. P. (eds.), Plenum Press, New York. [Pg.298]

The finite-temperature field theory has been the most popular approach to equilibrium phase transitions (L. Dolan et.al., 1974). The effective potential of quantum fluctuations around a classical background provides a convenient tool to describe phase transitions. The symmetry breaking or restoration mechanism can be illustrated by a scalar field model with broken symmetry... [Pg.276]

In refs (Kim,2004 Kim, 2005) we take one step further estimating corrections to the Gaussian effective potential for the U(l) scalar electrodynamics where it represents the standard static GL effective model of superconductivity. Although it was found that, in the covariant pure (f)4 theory in 3 + 1 dimensions,corrections to the GEP are not large (Stancu,1990), we do not expect them to be negligible in three dimensions for high Tc superconductivity, where the system is strongly correlated. [Pg.301]

The inherent problems associated with the computation of the properties of solids have been reduced by a computational technique called Density Functional Theory. This approach to the calculation of the properties of solids again stems from solid-state physics. In Hartree-Fock equations the N electrons need to be specified by 3/V variables, indicating the position of each electron in space. The density functional theory replaces these with just the electron density at a point, specified by just three variables. In the commonest formalism of the theory, due to Kohn and Sham, called the local density approximation (LDA), noninteracting electrons move in an effective potential that is described in terms of a uniform electron gas. Density functional theory is now widely used for many chemical calculations, including the stabilities and bulk properties of solids, as well as defect formation energies and configurations in materials such as silicon, GaN, and Agl. At present, the excited states of solids are not well treated in this way. [Pg.77]


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Density functional theory optimized effective potential

Effective core potentials coupled-cluster theory

Effective potential theory basic formulations

Effective potential theory centroid density

Molecular orbital theory effective core potentials

Potential theory

Theories potential theory

Time-dependent density functional theory effective potential

Vector-potential theory Aharonov-Bohm effect

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