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Progress of Theoretical Physics

An Algebraic Theory of the Density Matrix, I

K. Husimi, Toshiyuki Nishiyama

Published Dec 1, 1950• 4 citations
Publisher

Abstract

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.

DOI
10.1143/ptp/5.6.909

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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.
The many-body problem for a system of composite particles is formulated in a way which takes explicit account of the composite nature of these particles and allows a clear separation between interatomic and intraatomic interactions. A second-quantization representation, fully equivalent to the conventional representation in which nuclei and electrons appear explicitly, is developed in terms of atomic annihilation and creation operators satisfying elementary Bose or Fermi commutation relations. All effects of the composite nature of the atoms are exactly contained in the interatomic and intraatomic matrix elements and in certain exchange integrals. An application is made to the problem of Bose condensation of fermion pairs.
The search for a theory of the elementary particles which is founded on the well-established principles of quantum mechanics and conforms at the same time with the requirements of the principle of relativity has, in recent years, taken several divergent directions. On the one hand, the second quantization of wave fields derived from a Lagrangian by a variational procedure(1) has succeeded in accounting for the existence and most of the properties of the electron, the photon, and the meson. On the other hand, many generalizations of the Dirac wave equation of the electron(2) have been attempted, with applications to the meson(3) and the proton(4). Heisenberg(5) has considered the much more difficult problem of the interaction between different particles, and has found that the key to the situation is the so-called ‘scattering matrix’, which is nothing other than a limiting form of the relativistic density matrix, as defined in § 2 of this paper. It seems probable that the relativistic density matrix ρ; or statistical operator, as it may be called without reference to representation, will play an important part in relativistic quantum mechanics in the future. It satisfies the same equation as the wave function, but differs from it in being a real linear operator, or a dynamical variable, in the terminology of Dirac.
The formalism of the second quantization is developed entirely within the framework of the Dirac-Jordan representation theory. The equivalence of this formalism and the methods of ordinary coordinate-spin space is shown, and the equations of "connection" are fully developed. It is shown that the "creation" and "annihilation" operators, and indeed all operators which do not commute with the quantized Hamiltonian and hence whose representatives cannot be explicitly given in a configuration space of a fixed number of dimensions are easily treated in terms of the general representation theory and arise quite naturally. Both types of statistics are considered, and the Fock-Dirac density matrix and self-consistent field are treated as a simple illustration.
The purpose of this chapter is to introduce and apply the method of second quantization, a technique that underpins the formulation of quantum many-particle theories. The first part of the chapter focuses on methodology and notation, while the remainder is devoted to the development of applications designed to engender familiarity with and fluency in the technique. Specifically, we will investigate the physics of the interacting electron gas, charge density wave propagation in one-dimensional quantum wires, and spin waves in a quantum Heisenberg (anti) ferromagnet. Indeed, many of these examples and their descendants will reappear as applications in our discussion of methods of quantum field theory in subsequent chapters. In the previous chapter we encountered two field theories that could conveniently be represented in the language of “second quantization,” i.e. a formulation based on the algebra of certain ladder operators â k . There were two remarkable facts about this formulation: firstly, second quantization provides a compact way of representing the many-body space of excitations; secondly, the properties of the ladder operators were encoded in a simple set of commutation relations (cf. Eq. (1.33)) rather than in some explicit Hilbert space representation. Apart from a certain aesthetic appeal, these observations would not be of much relevance if it were not for the fact that the formulation can be generalized to a comprehensive and highly efficient formulation of many-body quantum mechanics in general.
The purpose of this chapter is to introduce and apply the method of second quantization, a technique that underpins the formulation of quantum many-particle theories. The first part of the chapter focusses on methodology and notation, while the remainder is devoted to the development of applications designed to engender familiarity with and fluency in the technique. Specifically, we will investigate the physics of the interacting electron gas, charge density wave propagation in one-dimensional quantum wires, and spin waves in a quantum Heisenberg (anti)ferromagnet. Indeed, many of these examples and their descendants will reappear as applications in our discussion of methods of quantum field theory in subsequent chapters. In the previous chapter we encountered two field theories that could conveniently be represented in the language of “second quantization,” i.e. a formulation based on the algebra of certain ladder operators â k . There were two remarkable facts about this formulation: firstly, second quantization provides a compact way of representing the many-body quasi-particle space of excitations; secondly, the properties of the ladder operators were encoded in a simple set of commutation relations (cf. Eq. (1.33)) rather than in some explicit Hilbert space representation. Apart from a certain aesthetic appeal, these observations would not be of much relevance if it were not for the fact that the formulation can be generalized to a comprehensive and highly efficient formulation of many-body quantum mechanics in general. In fact, second quantization can be considered the first major cornerstone on which the theoretical framework of quantum field theory was built.