Fock space theory

Similarity Transformation-Based Fock Space Theories... 

Bloch Equation Baaed Fock Space Theory ... 

The simplest approximation to this Fock space theory consists in projecting the n-particle Hamiltonian to electronic states, i.e. to ignore the creation of virtual electron-positron pair states, whence the name no-pair theory. The next step after a no-pair theory would be a formalism, in which an n-electron state mixes, e.g. with an (n -1- l)-electron-1-positron state etc.. Not the particle number, but the charge is a constant of motion. In this way one takes care of vacuum polarization, which is a real physical effect. It is, however, not recommended to treat it in such a brute-force way, but rather to use the apparatus of QED. 

It is also of interest to study the "inverse" problem. If something is known about the symmetry properties of the density or the (first order) density matrix, what can be said about the symmetry properties of the corresponding wave functions In a one electron problem the effective Hamiltonian is constructed either from the density [in density functional theories] or from the full first order density matrix [in Hartree-Fock type theories]. If the density or density matrix is invariant under all the operations of a space CToup, the effective one electron Hamiltonian commutes with all those elements. Consequently the eigenfunctions of the Hamiltonian transform under these operations according to the irreducible representations of the space group. We have a scheme which is selfconsistent with respect to symmetty. 

We applied the Liouville-von Neumann (LvN) method, a canonical method, to nonequilibrium quantum phase transitions. The essential idea of the LvN method is first to solve the LvN equation and then to find exact wave functionals of time-dependent quantum systems. The LvN method has several advantages that it can easily incorporate thermal theory in terms of density operators and that it can also be extended to thermofield dynamics (TFD) by using the time-dependent creation and annihilation operators, invariant operators. Combined with the oscillator representation, the LvN method provides the Fock space of a Hartree-Fock type quadratic part of the Hamiltonian, and further allows to improve wave functionals systematically either by the Green function or perturbation technique. In this sense the LvN method goes beyond the Hartree-Fock approximation. 

By adopting the no-pair approximation, a natural and straightforward extension of the nonrelativistic open-shell CC theory emerges. The multireference valence-universal Fock-space coupled-cluster approach is employed [25], which defines and calculates an effective Hamiltonian in a low-dimensional model (or P) space, with eigenvalues approximating some desirable eigenvalues of the physical Hamiltonian. The effective Hamiltonian has the form [26]... 

II. Many-Body Theory in Fock-Space Formulation... 

II. MANY-BODY THEORY IN FOCK-SPACE FORMULATION... 

Although the theory has been formulated in terms of excitation operators only, the extension to arbitrary Fock-space operators is straightforward. 

There are also some unexpected problems, related to the fact that the stationarity conditions do not discriminate between ground and excited states, between pure states and ensemble states, and not even between fermions and bosons. The IBQ give only information about the nondiagonal elements of y and the Xk, whereas for the diagonal elements other sources of information must be used. These elements are essentially determined by the requirement of w-representability. This can be imposed exactly to the leading order of perturbation theory. Some information on the diagonal elements is obtained from the lCSE,t, though in a very expensive and hence not recommended way. The best way to take care of -representability is probably via a unitary Fock-space transformation of the reference function, because this transformation preserves the -representability. 

A. Landan, E. Ehav, and U. Kaldor, Intermediate Hamiltonian Fock-Space Coupled-Cluster Method and Applications. In R. F. Bishop, T. Brandes, K. A. Gernoth, N. R. Walet, and Y. Xian (Eds.) Recent Progress in Many-Body Theories, Advances in Quantum Many-Body Theories, Vol. 6. (World Scientific, Singapore, 2002), pp. 355-364 and references therein. 

The reader will recognize the analogy with the grand ensemble in statistical mechanics and with the Fock space in field theory. 

Non-Abelian electrodynamics has been presented in considerable detail in a nonrelativistic setting. However, all gauge fields exist in spacetime and thus exhibits Poincare transformation. In flat spacetime these transformations are global symmetries that act to transform the electric and magnetic components of a gauge field into each other. The same is the case for non-Abelian electrodynamics. Further, the electromagnetic vector potential is written according to absorption and emission operators that act on element of a Fock space of states. It is then reasonable to require that the theory be treated in a manifestly Lorentz covariant manner. 

In the case of quantum field theory the section determines the Hilbert space of states under a certain gauge. This choice of gauge then determines the unitary representation of the Hilbert space. We may then replace the section with the fermion field /, which acts on the Fock space of states. It is then apparent that a gauge transformation A t > A t + 84 is associated with a unitary transform of the fermion field v / > v / I 8 /. The unitary transformation of the fermion... 

Instead of supposing there to be a single Kohn-Sham potential, one can think of it as a vector in Fock space. For each sheet ft = N of the latter, there is a component vKS(r,N) and a corresponding set of Kohn-Sham equations. Density functional theory and Kohn-Sham theory hold separately on each sheet. Ensemble-average properties are then composed of weighted contributions from each sheet, computable sheet by sheet via the techniques of DFT and the KS equations. Nevertheless, though completely valid, this procedure would yield for the reactivity indices f(r), s(r), and S the results already obtained directly from Eqs. (28). We are left without proper definitions of chemical-reactivity indices for systems with discrete spectra at T = 0 [43]. 

Now, returning to Pfeifer s model of chirality we see that we have to make a choice of representation when selecting states to use in a Hartree variational calculation of the ground-state of the molecule-radiation field system. In Pfeifer s calculations the trial functions are chosen as coherent states, say t/N based on the photon Fock space n) in the Coulomb gauge theory an inequivalent set of trial functions is obtained by choosing coherent states, ip, based on the gauge-invariant photon Fock space n). One then has to compare the results of two minimization calculations involving, (cf. Eq. 5.4),... 

FULL CLUSTER EXPANSION THEORIES IN FOCK SPACE 7.1 Preliminaries for a Fock Space Approach... 

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