We state in the following a structure theory of the density matrices from the standpoint of secind quantization. The difficulties involved in the quantum-mechanical many body problem have so far proved to be so tremendous that as yet some have been obliged to stop before exact treatments and others have retired to phenomenological model theories. There are two main tools to approach the problem, the theory of second quantization and the theory of density matrix. The former, in spite of its generality and compactness, has never revealed us its adaptability to the practical problems of quantum statistical mechanics. In fact, about the exchange effect, namely the statistical correlation of particles, the latter informs us the detailed features of it by application of the group theory, while the former lacks, at present, such an exposition. For a long time a more general and simpler formulation than the current group theoretic method has been desired in the theoretical researches of spectroscopy. A distinguished contribution has been made by P. Jordan (1934) and H. Ostertag (1937) from the standpoint of second quantization. H. Ostertag made use of the theory of hypercomplex ring and introdeced the original concept of the elementary algebra. (Part II) Since the latter part of his formulation, however, seems to be complicated, it will be better, for clearness' sake, to avoid this part. Accordingly the concepts of the elementary algebra and the symmetric algebra will be introduced as a remedy for it. Then we shall complete our theory to include the whole theory of symmetric group. These concepts will serve to clarify and generalize the previous formulations and to unify the several group theoretic standpoints of the spectroscopy. In §1 and §2 the representation of the quantized density of Bose or Fermi particles will reveal itself as the density matrix of Bose or Fermi particles or as the density matrix of many electrons with a certain term of spin multiplets. Indeed, the theory of the statistical operator, or the density matrix of J. von Neumann and P.A.M. Dirac, the equilibrium properties of which have been fully examined by one of the authors (1940), is the natural formalism of dealing with quantum gases. A contribution has been made by W. Kofink (1938) to introduce the intrinsic degrees of freedom of particles. This attempt has resulted in a fair seccess. His formulation consists in making use of the initial stages of the theory of spectroscopy, which will be reexamined in the second section and Part II. In §3, as an example at zero temperature, the Hartree-Fock equation for a prescribed orbital and spin configuration will be derived, and in §4 some properties of the reduced density matrix will be illustrated.
We state in the following a structure theory of the density matrices from the standpoint of secind quantization. The difficulties involved in the quantum-mechanical many body problem have so far proved to be so tremendous that as yet some have been obliged to stop before exact treatments and others have retired to phenomenological model theories. There are two main tools to approach the problem, the theory of second quantization and the theory of density matrix. The former, in spite of its generality and compactness, has never revealed us its adaptability to the practical problems of quantum statistical mechanics. In fact, about the exchange effect, namely the statistical correlation of particles, the latter informs us the detailed features of it by application of the group theory, while the former lacks, at present, such an exposition. For a long time a more general and simpler formulation than the current group theoretic method has been desired in the theoretical researches of spectroscopy. A distinguished contribution has been made by P. Jordan (1934) and H. Ostertag (1937) from the standpoint of second quantization. H. Ostertag made use of the theory of hypercomplex ring and introdeced the original concept of the elementary algebra. (Part II) Since the latter part of his formulation, however, seems to be complicated, it will be better, for clearness' sake, to avoid this part. Accordingly the concepts of the elementary algebra and the symmetric algebra will be introduced as a remedy for it. Then we shall complete our theory to include the whole theory of symmetric group. These concepts will serve to clarify and generalize the previous formulations and to unify the several group theoretic standpoints of the spectroscopy. In §1 and §2 the representation of the quantized density of Bose or Fermi particles will reveal itself as the density matrix of Bose or Fermi particles or as the density matrix of many electrons with a certain term of spin multiplets. Indeed, the theory of the statistical operator, or the density matrix of J. von Neumann and P.A.M. Dirac, the equilibrium properties of which have been fully examined by one of the authors (1940), is the natural formalism of dealing with quantum gases. A contribution has been made by W. Kofink (1938) to introduce the intrinsic degrees of freedom of particles. This attempt has resulted in a fair seccess. His formulation consists in making use of the initial stages of the theory of spectroscopy, which will be reexamined in the second section and Part II. In §3, as an example at zero temperature, the Hartree-Fock equation for a prescribed orbital and spin configuration will be derived, and in §4 some properties of the reduced density matrix will be illustrated.
Part 1 Fundamentals and examples: systems of identical particles second quantization for fermions second quantization for bosons unitary transformations and field operators example - the Hamiltonian of translationally invariant systems in second quantization density operators the Hartree-Fock approximation restricted Hartree-Fock approximation and the symmetry dilemma Hartree-Fock for translationally invariant systems the homogeneous electron gas in the Hartree-Fock approximation long-range correlations in the electron-gas - plasmons phonons superconductivity. Part 2 Green's functions: pictures the single-particle Green's function and the hierarchy of equations of motion. Part 3 Perturbation theory: time-dependent perturbation theory with adiabatic turning-on of the interaction particle and hole operators and Wick's theorem Feynman diagrams diagrammatic calculation of the vacuum amplitude an example - the Gell-Mann-Brueckner correlation energy of a dense electron gas diagrammatic calculation of the single-particle Green's function - Dyson's equation diagrammatic analysis of the Green's function G(kappa, omega) self-consistent perturbation theory, higher-order Hartree-Fock theory the quasi-particle concept diagrammatic calculation of the two-particle Green's function and the polarization propagator effective interaction and dressed vertices plasmons in higher order perturbation theory at finite temperatures. Part 4 Fermi liquid theory: introduction equilibrium properties transport equation and collective modes microscopic derivation of the Landau fermi liquid theory applications to the Kondo problem.
The problem of correlations is considered in many-fermion systems, although with some modifications the methods are more general. The many-body problem is formulated in terms of reduced one- and two-particle density matrices, and the equations for these are treated by variational and iterative methods. The formalism is applied to a calculation of the energy per particle for a system interacting with Coulomb, screened Coulomb, and singular potentials. Comparisons with the ideas of Brueckner and others are made, and difficulties are discussed.
A method for the calculation of translationally invariant wave functions for systems of identical fermions with arbitrary potential of pair interaction is developed.It is based on the well-known result that the essential dynamic part of Hamiltonian for the system of identical particles is the reduced Hamiltonian operator describing a relative movement of two particles inside the system.The eigenfunctions of this operator take into account all correlations caused by interaction.These eigenfunctions are basic elements for building the components (i.e., the functions with a lower degree of antisymmetry) used to construct the total antisymmetric wave function of the system.The main problem of this approach appears to be the antisymmetrization of the components.The developed universal algorithm for antisymmetrization gives a possibility to carry out this operation in a simple way and to keep numerical approximations under control.
In order to calculate the average value of a physical quantity containing also many-particle interactions in a system of
N antisymmetric particles, a set of generalized density matrices are defined. In order to permit the investigation of the same physical situation in two complementary spaces, the Hermitean density matrix of order
k has two sets of indices of each
k variables, and it is further antisymmetric in each set of these indices.Every normalizable antisymmetric wave function may be expanded in a series of determinants of order
N over all ordered configurations formed from a basic complete set of one-particle functions ${\ensuremath{\psi}}_{k}$, which gives a representation of the wave function and its density matrices also in the discrete
k-space. The coefficients in an expansion of an eigenfunction to a particular operator may be determined by the variation principle, leading to the ordinary secular equation of the method of configurational interaction. It is shown that the first-order density matrix may be brought to diagonal form, which defines the "natural spin-orbitals" associated with the system. The situation is then partly characterized by the corresponding occupation numbers, which are shown to lie between 0 and 1 and to assume the value 1, only if the corresponding spin-orbital occurs in all configurations necessary for describing the situation. If the system has exactly
N spin-orbitals which are fully occupied, the total wave function may be reduced to a single Slater determinant. However, due to the mutual interaction between the particles, this limiting case is never physically realized, but the introduction of natural spin-orbitals leads then instead to a configurational expansion of most rapid convergence.In case the basic set is of finite order
M, the best choice of this set is determined by a form of extended Hartree-Fock equations. It is shown that, in this case, the natural spin-orbitals approximately fulfill some equations previously proposed by Slater.