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Many body problem

Page J B 1991 Many-body problem to the theory of resonance Raman scattering by vibronic systems Top. Appi. Phys. 116 17-72... [Pg.1227]

Atom-surface interactions are intrinsically many-body problems which are known to have no analytical solutions. Due to the shorter de Broglie wavelengdi of an energetic ion than solid interatomic spacings, the energetic atom-surface interaction problem can be treated by classical mechanics. In the classical mechanical... [Pg.1808]

The summation of pair-wise potentials is a good approximation for molecular dynamics calculations for simple classical many-body problems [27], It has been widely used to simulate hyperthennal energy (>1 eV) atom-surface scattering ... [Pg.1809]

Fane U 1964 Liouville representation of quantum mechanics with application to relaxation processes Lectures on the Many Body Problem /o 2, ed E R Caianiello (New York Academic) pp 217-39... [Pg.2112]

Many-body problems wnth RT potentials are notoriously difficult. It is well known that the Coulomb potential falls off so slowly with distance that mathematical difficulties can arise. The 4-k dependence of the integration volume element, combined with the RT dependence of the potential, produce ill-defined interaction integrals unless attractive and repulsive mteractions are properly combined. The classical or quantum treatment of ionic melts [17], many-body gravitational dynamics [18] and Madelung sums [19] for ionic crystals are all plagued by such difficulties. [Pg.2159]

The pseudopotential is derived from an all-electron SIC-LDA atomic potential. The relaxation correction takes into account the relaxation of the electronic system upon the excitation of an electron [44]- The authors speculate that ... the ability of the SIRC potential to produce considerably better band structures than DFT-LDA may reflect an extra nonlocality in the SIRC pseudopotential, related to the nonlocality or orbital dependence in the SIC all-electron potential. In addition, it may mimic some of the energy and the non-local space dependence of the self-energy operator occurring in the GW approximation of the electronic many body problem [45]. [Pg.2209]

Ceperly D M and Kales M FI 1986 Quantum many-body problems, Monte Cario Methods in Statisticai Physics (Topics in Current Physics, voi 7) 2nd edn, ed K Binder (Berlin Springer) pp 145-94... [Pg.2233]

Dreizier R M and Gross E K U 1990 Density Functional Theory an Approach to the Quantum Many-body Problem (Berlin Springer)... [Pg.2239]

In our hydrogen molecule calculation in Section 2.4.1 the molecular orbitals were provided as input, but in most electronic structure calculations we are usually trying to calculate the molecular orbitals. How do we go about this We must remember that for many-body problems there is no correct solution we therefore require some means to decide whether one proposed wavefunction is better than another. Fortunately, the variation theorem provides us with a mechanism for answering this question. The theorem states that the... [Pg.71]

Simulations. In addition to analytical approaches to describe ion—soHd interactions two different types of computer simulations are used Monte Cado (MC) and molecular dynamics (MD). The Monte Cado method rehes on a binary coUision model and molecular dynamics solves the many-body problem of Newtonian mechanics for many interacting particles. As the name Monte Cado suggests, the results require averaging over many simulated particle trajectories. A review of the computer simulation of ion—soUd interactions has been provided (43). [Pg.397]

A method is outlined by which it is possible to calculate exactly the behavior of several hundred interacting classical particles. The study of this many-body problem is carried out by an electronic computer which solves numerically the simultaneous equations of motion. The limitations of this numerical scheme are enumerated and the important steps in making the program efficient on the computer are indicated. The applicability of this method to the solution of many problems in both equilibrium and nonequilibrium statistical mechanics is discussed. [Pg.65]

This potential is referred to in electromagnetism texts as the retarded potential. It gives a clue as to why a complete relativistic treatment of the many-body problem has never been given. A theory due to Darwin and Breit suggests that the Hamiltonian can indeed be written as a sum of nuclear-nuclear repulsions, electron-nuclear attractions and electron-electron repulsions. But these terms are only the leading terms in an infinite expansion. [Pg.307]

Brueckner, K. A., and Levinson, C. A., Phys. Rev. 97, 1344, Approximate reduction of the many-body problem for strongly interacting particles to a problem of SCF fields/ ... [Pg.341]

Betiie, H. A., Phys. Rev. 103, 1353, "Nuclear many-body problem."... [Pg.346]

Rodberg, L. S., Ann. Phys. 2, 199, The many-body problem and the Brueckner approximation."... [Pg.355]

Andersen,E.,andUHLHORN,U., r n K>m 13,165/ Approach to the quantum mechanical many-body problem with strong two-particle interaction/ ... [Pg.357]

At the end of Section 8.16 we mentioned that the Fock representation avoids the use of multiple integrations of coordinate space when dealing with the many-body problem. We can see here, however, that the new method runs into complications of its own To handle the immense bookkeeping problems involved in the multiple -integrals and the ordered products of creation and annihilation operators, special diagram techniques have been developed. These are discussed in Chapter 11, Quantum Electrodynamics. The reader who wishes to study further the many applications of these techniques to problems of quantum statistics will find an ample list of references in a review article by D. ter Haar, Reports on Progress in Physics, 24,1961, Inst, of Phys. and Phys. Soc. (London). [Pg.477]

In good solvents, the mean force is of the repulsive type when the two polymer segments come to a close distance and the excluded volume is positive this tends to swell the polymer coil which deviates from the ideal chain behavior described previously by Eq. (1). Once the excluded volume effect is introduced into the model of a real polymer chain, an exact calculation becomes impossible and various schemes of simplification have been proposed. The excluded volume effect, first discussed by Kuhn [25], was calculated by Flory [24] and further refined by many different authors over the years [27]. The rigorous treatment, however, was only recently achieved, with the application of renormalization group theory. The renormalization group techniques have been developed to solve many-body problems in physics and chemistry. De Gennes was the first to point out that the same approach could be used to calculate the MW dependence of global properties... [Pg.82]

New application of modem statistical mechaiucal methods to the description of stmctured continua and snpramolecnlar flnids have made it possible to treat many-body problems and cooperative phenomena in snch systems. The increasing availability of high-speed compntation and the development of vector and parallel processing teclmiqnes for its implementation are making it possible to develop more refined descriptions of the complex many-body systems. [Pg.179]

Use of the Born-Oppenheimer approximation is implicit for any many-body problem involving electrons and nuclei as it allows us to separate electronic and nuclear coordinates in many-body wave function. Because of the large difference between electronic and ionic masses, the nuclei can be treated as an adiabatic background for instantaneous motion of electrons. So with this adiabatic approximation the many-body problem is reduced to the solution of the dynamics of the electrons in some frozen-in configuration of the nuclei. However, the total energy calculations are still impossible without making further simplifications and approximations. [Pg.19]

These limitations, most urgently felt in solid state theory, have stimulated the search for alternative approaches to the many-body problem of an interacting electron system as found in solids, surfaces, interfaces, and molecular systems. Today, local density functional (LDF) theory (3-4) and its generalization to spin polarized systems (5-6) are known to provide accurate descriptions of the electronic and magnetic structures as well as other ground state properties such as bond distances and force constants in bulk solids and surfaces. [Pg.50]

Singer, Computational Methods in Classical and Quantum Physics, The Many-Body Problem in Statistical Mechanics, Ed. by M. B. Hooper, Advance Pub., London, 1976, p. 289. [Pg.200]

K. A. Brueckner, The Many-Body Problem. J. Wiley and Sons, Inc., New York, 1959. [Pg.51]

M. Moshinsky, in Gronp Theory and the Many-Body Problem (Gordon and Breach, New York, 1968). [Pg.74]

Sapirstein, J.P. (1998) Theoretical methods for the relativistic atomic many-body problem. Reviews of Modem Physics, 70, 55-76. [Pg.224]

Next, the effect of z on A IT through the transition matrix element Hoj is considered as follows for rigorous determination of IToi, all electrons in the system should be treated. However, for the sake of simplicity, we devote our attention only to the transferring electron the other electrons would be regarded as forming the effective potential (x) for the transferring electron (x the coordinate of the electron given from the ion center). This enables us to reduce the many-body problem to a one-body problem ... [Pg.47]

The hydrodynamic interaction is introduced in the Zimm model as a pure intrachain effect. The molecular treatment of its screening owing to presence of other chains requires the solution of a complicated many-body problem [11, 160-164], In some cases, this problem can be overcome by a phenomenological approach [40,117], based on the Zimm model and on the additional assumption that the average hydrodynamic interaction in semi-dilute solutions is still of the same form as in the dilute case. [Pg.112]

Thus far, these models cannot really be used, because no theory is able to yield the reaction rate in terms of physically measurable quantities. Because of this, the reaction term currently accounts for all interactions and effects that are not explicitly known. These more recent theories should therefore be viewed as an attempt to give understand the phenomena rather than predict or simulate it. However, it is evident from these studies that more physical information is needed before these models can realistically simulate the complete range of complicated behavior exhibited by real deposition systems. For instance, not only the average value of the zeta-potential of the interacting surfaces will have to be measured but also the distribution of the zeta-potential around the mean value. Particles approaching the collector surface or already on it, also interact specifically or hydrodynamically with the particles flowing in their vicinity [100, 101], In this case a many-body problem arises, whose numerical... [Pg.211]

Adelman, S. A. Generalized Langevin equations and many-body problems in chemical physics,... [Pg.353]

A central issue in statistical thermodynamic modelling is to solve the best model possible for a system with many interacting molecules. If it is essential to include all excluded-volume correlations, i.e. to account for all the possible ways that the molecules in the system instantaneously interact with each other, it is necessary to do computer simulations as discussed above, because there are no exact (analytical) solutions to the many-body problems. The only analytical models that can be solved are of the mean-field type. [Pg.52]

The most essential step in a mean-field theory is the reduction of the many-body problem to a scheme that treats just a small number of molecules in an external field. The external field is chosen such that it mimics the effect of the other molecules in the system as accurately as possible. In this review we will discuss the Bragg Williams approach. Here the problem is reduced to behaviour of a single chain (molecule) in an external field. Higher order models (e.g. Quasi-chemical or Bethe approximations) are possible but we do not know applications of this for bilayer membranes. [Pg.52]

March, N.H., Young, W.H. and Sampanthar, S. (1967), The Many-Body Problem in Quantum Mechanics, Cambridge University Press, Cambridge. [Pg.198]

The purpose of this chapter is to show and discuss the connection between TD-DFT and Bohmian mechanics, as well as the sources of lack of accuracy in DFT, in general, regarding the problem of correlations within the Bohmian framework or, in other words, of entanglement. In order to be self-contained, a brief account of how DFT tackles the many-body problem with spin is given in Section 8.2. A short and simple introduction to TD-DFT and its quantum hydrodynamical version (QFD-DFT) is presented in Section 8.3. The problem of the many-body wave function in Bohmian mechanics, as well as the fundamental grounds of this theory, are described and discussed in Section 8.4. This chapter is concluded with a short final discussion in Section 8.5. [Pg.107]


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See also in sourсe #XX -- [ Pg.362 , Pg.363 , Pg.364 , Pg.365 , Pg.366 , Pg.414 , Pg.440 ]




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