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Progress of Theoretical Physics

Conserving approximations in nonequilibrium Green function and density functional theory

Nils Erik Dahlen

Published Jan 1, 2004• 1 citation
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Introduction In this and the next two chapters we lay down the basis to go beyond the Hartree–Fock approximation. We develop a powerful approximation method with two main distinctive features. The first feature is that the approximations are conserving . A major difficulty in the theory of nonequilibrium processes consists in generating approximate Green's functions yielding a particle density n (x, t ) and a current density J (x, t ) which satisfy the continuity equation, or a total momentum P ( t ) and a Lorentz force F ( t ) which is the time-derivative of P ( t ), or a total energy E ( t ) and a total power which is the time-derivative of E ( t ), etc. All these fundamental relations express the conservation of some physical quantity. In equilibrium the current is zero and hence the density is conserved, i.e., it is the same at all times; the force is zero and hence the momentum is conserved; the power fed into the system is zero and hence the energy is conserved, etc. The second important feature is that every approximation has a clear physical interpretation. In Chapter 7 we showed that the two-particle Green's function in the Hartree and Hartree–Fock approximation can be represented diagrammatically as in Fig. 7.1 and Fig. 7.2 respectively. In these diagrams two particles propagate from (1′, 2′) to (1, 2) as if there was no interaction.

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This paper investigates the criteria for maintenance of the macroscopic conservation laws of number, momentum, and energy by approximate two-particle correlation functions in many-body systems. The methods of generating such approximations are the same as in a previous paper. However, the derivations of the conservation laws given here clarify both why the approximation method works and the connection between the macroscopic conservation laws and those at the vertices.Conserving nonequilibrium approximations are based on self-consistent approximations to the one-particle Green's function. The same condition that ensures that the nonequilibrium theory be conserving also ensures that the equilibrium approximation has the following properties. The several common methods for determining the partition function from the one-particle Green's function all lead to the same result. When applied to a zero-temperature normal fermion system, the approximation procedure maintains the Hugenholtz-Van Hove theorem. Consequently, the self-consistent version of Brueckner's nuclear matter theory obeys this theorem.

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The Energy Density Functional Theory: Present Status-Reflections

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Springer eBooks•Jan 1, 1988•4 citations
Introduction In this and the next two chapters we lay down the basis to go beyond the Hartree–Fock approximation. We develop a powerful approximation method with two main distinctive features. The first feature is that the approximations are conserving . A major difficulty in the theory of nonequilibrium processes consists in generating approximate Green's functions yielding a particle density n (x, t ) and a current density J (x, t ) which satisfy the continuity equation, or a total momentum P ( t ) and a Lorentz force F ( t ) which is the time-derivative of P ( t ), or a total energy E ( t ) and a total power which is the time-derivative of E ( t ), etc. All these fundamental relations express the conservation of some physical quantity. In equilibrium the current is zero and hence the density is conserved, i.e., it is the same at all times; the force is zero and hence the momentum is conserved; the power fed into the system is zero and hence the energy is conserved, etc. The second important feature is that every approximation has a clear physical interpretation. In Chapter 7 we showed that the two-particle Green's function in the Hartree and Hartree–Fock approximation can be represented diagrammatically as in Fig. 7.1 and Fig. 7.2 respectively. In these diagrams two particles propagate from (1′, 2′) to (1, 2) as if there was no interaction.
In this chapter we introduce the fundamental concepts behind the Green Function Theory. We start from a description of the second quantization method and then, after introducing the ensemble average of an operator, we define the main object of the theory, the Green function. Further on, after obtaining the equation of motion for the Green function, we introduce the self-energy operator and we discuss the Hartree-Fock approximation, the second-Born approximation and the GW approximation to the self-energy.
This paper investigates the criteria for maintenance of the macroscopic conservation laws of number, momentum, and energy by approximate two-particle correlation functions in many-body systems. The methods of generating such approximations are the same as in a previous paper. However, the derivations of the conservation laws given here clarify both why the approximation method works and the connection between the macroscopic conservation laws and those at the vertices.Conserving nonequilibrium approximations are based on self-consistent approximations to the one-particle Green's function. The same condition that ensures that the nonequilibrium theory be conserving also ensures that the equilibrium approximation has the following properties. The several common methods for determining the partition function from the one-particle Green's function all lead to the same result. When applied to a zero-temperature normal fermion system, the approximation procedure maintains the Hugenholtz-Van Hove theorem. Consequently, the self-consistent version of Brueckner's nuclear matter theory obeys this theorem.