A study has been carried out on the relationship between formal scattering theory and the density matrix formalism. The density operator is developed in terms of the scattering operator S and the observable square modulus matrix elements of S are shown to be equivalent to elements of the density matrix. The Møller wave operators are similarly treated and subsequently used in obtaining the density matrix expression for the transition matrix. Finally, using the latter, it is shown that the hierarchy of approximations to the density matrix yields equivalent results to those obtained from the Born series.A study has been carried out on the relationship between formal scattering theory and the density matrix formalism. The density operator is developed in terms of the scattering operator S and the observable square modulus matrix elements of S are shown to be equivalent to elements of the density matrix. The Møller wave operators are similarly treated and subsequently used in obtaining the density matrix expression for the transition matrix. Finally, using the latter, it is shown that the hierarchy of approximations to the density matrix yields equivalent results to those obtained from the Born series.

Molecular PhysicsJan 1, 19717 citations

Density Matrices and Perturbation Theory

Mitchel Weissbluth

Elsevier eBooksJan 1, 19890 citations

Reduced Density Matrix versus Wave Function: Recent Developments

Carmela Valdemoro

Topics in molecular organization and engineeringJan 1, 19966 citations

Properties and $N$ -representability conditions of the two-body density matrixProperties and $N$-representability conditions of the two-body density matrix

Nicholas J. Cox

A summary is presented of the properties of the coefficient matrices formed by expanding the two-body reduced density matrix in a complete set of two-electron wave functions. Calculating the relationship between the many electron wave function and these so-called two-body density matrices enables the derivation of necessary $N$ -representability conditions that ensure a given matrix obeys the postulates of many-body quantum mechanics.A summary is presented of the properties of the coefficient matrices formed by expanding the two-body reduced density matrix in a complete set of two-electron wave functions. Calculating the relationship between the many electron wave function and these so-called two-body density matrices enables the derivation of necessary $N$-representability conditions that ensure a given matrix obeys the postulates of many-body quantum mechanics.

arXiv:2112.11405Dec 21, 20210 citations

Perturbation Expansion for a Fermi Superfluid. I. Basic Formalism and Angular Momentum

Takafumi Kita

A theory of a Fermi superfluid is formulated based on the condensate wave function of the configuration space. First, two basic ingredients are extracted from the wave function, i.e. the effective condensate wave function v ( x 1 , x 2 ) and the quasiparticle field γ( x ) with x denoting the space and spin coordinates r α. After transforming a Hamiltonian into a normal-ordered product of γ, a perturbation expansion with respect to the quasiparticle interaction is formulated for both the thermodynamic potential Ω and the one-particle density matrix ρ. The thermodynamic potential thus obtained includes the normal-state expression of Luttinger and Ward as the limit of v → 0. The density matrix is written as a sum of the coherent part ρ ( c) and the quasiparticle part ρ ( q) , where ρ ( c) is expressed only with respect to v ( x 1 , x 2 ). It is shown that v and γ are responsible for the coherent and thermodynamic properties respectively. Thus the present formalism gives a microscopic foundation for the two-fluid model. Connections with the Gor'kov equations and the Bogoliubov-de Gennes equations are also clarified. It is found that the one-particle density matrices of those formalisms are not equivalent to ρ of the present formalism. The origin of the angular momentum paradox of 3 He - A is traced to this difference.A theory of a Fermi superfluid is formulated based on the condensate wave function of the configuration space. First, two basic ingredients are extracted from the wave function, i.e. the effective condensate wave function v ( x 1 , x 2 ) and the quasiparticle field γ( x ) with x denoting the space and spin coordinates r α. After transforming a Hamiltonian into a normal-ordered product of γ, a perturbation expansion with respect to the quasiparticle interaction is formulated for both the thermodynamic potential Ω and the one-particle density matrix ρ. The thermodynamic potential thus obtained includes the normal-state expression of Luttinger and Ward as the limit of v → 0. The density matrix is written as a sum of the coherent part ρ ( c) and the quasiparticle part ρ ( q) , where ρ ( c) is expressed only with respect to v ( x 1 , x 2 ). It is shown that v and γ are responsible for the coherent and thermodynamic properties respectively. Thus the present formalism gives a microscopic foundation for the two-fluid model. Connections with the Gor'kov equations and the Bogoliubov-de Gennes equations are also clarified. It is found that the one-particle density matrices of those formalisms are not equivalent to ρ of the present formalism. The origin of the angular momentum paradox of 3 He - A is traced to this difference.

Journal of the Physical Society of JapanMay 15, 199614 citations

DENSITY MATRICES IN QUANTUM MECHANICS

WORLD SCIENTIFIC eBooksJul 1, 19951 citation

Properties and

N

-representability conditions of the two-body density matrix

N

-representability conditions that ensure a given matrix obeys the postulates of many-body quantum mechanics.