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Journal of Physics G Nuclear and Particle Physics

Particle-number-conserving functional integrals for angular-momentum and parity-projected many-body matrix elements

G. Puddu

Published Jul 18, 2001• 4 citations
Publisher

Abstract

We obtain exact functional integrals expressions for many-body matrix elements of the type ⟨ψ, J ,π, N , Z |e -βĤ |ψ, J ,π, N , Z ⟩, between states having good angular-momentum, parity and particle number, in the case of particle-number-preserving functional integrals expressions for e -βĤ are used. Compact expressions are obtained without using angular-momentum projectors. In the case of an even number of particles, a new proof of positivity for the pairing plus quadrupole model is given, which is angular-momentum and parity projected to J π = 0 + . It is shown that the propagator in the functional integral is reduced to a Hermitian positive-definite propagator by the use of angular-momentum eigenstates.

DOI
10.1088/0954-3899/27/8/102

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Ψ=Ψ Iˆ In view of the expansion (29.28), which holds for an arbitrary state function in the form Ψ = Ψ Ψ Ψ Ψ = Ψ Ψ Ψ∑ ∑ we may define the unit or identity operator as i iI ΨΨ=∑ =1 ˆ (33.4) Conversely, for every linear operator we can form a square matrix, in terms of a complete set of functions by multiplying the left-hand side of Eq.(33.3) by and integrating, which gives fˆ ,iΨ ∗Ψi ΨΨ=ΨΨ=ΦΨ=ΦΨ∫ ∗ Iffd iiii ˆˆˆV ΨΨ=ΨΨΨΨ= n ˆˆ Since ii b=ΦΨ this result is identical with that given by Eq.(33.1), provided we set Vˆˆ dfff kikiik ΨΨ=ΨΨ= ∫ ∗ (33.5) which are called the matrix elements of the linear operator in terms of the particular complete set of functions It is a straightforward matter to show that the rules of matrix algebra for addition, multiplication, associativity and distributivity (see Appendix II) apply to the matrix elements (33.5), following from their definition. Two properties of fˆ .iΨ matrix elements that are needed in quantum mechanics can be readily derived from Eq.(33.5). Using Eq.(29.19) we obtain ∗∗ =ΨΨ=ΨΨ= kiikkiik ffff ˆˆ (33.6) which means that if is a Hermitian operator, then its matrix representation in a complete set of functions is Hermitian. Hence, the elements in the principal diagonal of a Hermitian matrix must be real. When all the elements are real, the matrix must be symmetric. From Eq.(29.20) we have fˆ ikiikiik f δλλ =ΨΨ=ΨΨ ˆ (33.7) that is: if the functions are the eigenfunctions of the Hermitian operator the matrix representation is diagonal, and the matrix elements are the eigenvalues of the operator. A quantum mechanical problem can be stated in a differential equation form or in a matrix form. In both cases the solution consists of finding the eigenvalues and the eigenfunctions of an operator associated with a physical observable. In view of a matrix representation in any complete set of functions, the eigenvalue equation (29.20) must be formulated as iΨ ,fˆ (33.8) Ψ=Ψ λfˆ where the arbitrary eigenfunction Ψ can be expanded, as given by Eq.(29.4), in terms of a complete set of functions If we multiply Eq.(33.8) by and integrate, we obtain .iΨ ∗Ψi ˆ ˆ ˆV V ori i if d d f Iλ λ∗ ∗Ψ Ψ = Ψ Ψ Ψ Ψ = Ψ Ψ∫ ∫ i or also, in view of Eq.(33.4) k kki f λ ˆ This can be rewritten as = n 1 λ which reads (33.9) ⎟⎟ ⎟⎟ ⎟ ⎠ ⎞ ⎜⎜ ⎜⎜ ⎜ ⎝ ⎛ = ⎟⎟ ⎟⎟ ⎟ ⎠ ⎞ ⎜⎜ ⎜⎜ ⎜ ⎝ ⎛ ⎟⎟ ⎟⎟ ⎟ ⎠ ⎞ ⎜⎜ ⎜⎜ ⎜ ⎝ ⎛ a a a a a a fff fff fff …… … ……… … … λ Equation (33.6) is called the matrix eigenvalue equation and consists of n linear homogenous equations for the given by ,ka ( ) 0... 1212111 =+++− nnafafaf λ ( ) 0... 2222121 =++−+ nnafafaf λ (33.10) ……… ( ) 0...2211 =−+++ nnnnn afafaf λ This system of simultaneous equations has a nontrivial solution for the if and only if the characteristic determinant vanishes ( ) ( ) ( ) ( ) 01ˆˆdet = ⎟⎟ ⎟⎟ ⎟ ⎠ ⎞ ⎜⎜ ⎜⎜ ⎜ ⎝ ⎛ − − − =− λ λ λ λ nnnn fff fff fff f … ……… … … (33.11) If expanded, the determinant gives a polynominal of nth degree called the characteristic polynominal of fˆ with n roots which are the desired eigenvalues. For each eigenvalue Eqs.(33.10) can be solved for the giving the corresponding eigenfunction that is a column matrix.

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We obtain exact functional integrals expressions for many-body matrix elements of the type ⟨ψ, J ,π, N , Z |e -βĤ |ψ, J ,π, N , Z ⟩, between states having good angular-momentum, parity and particle number, in the case of particle-number-preserving functional integrals expressions for e -βĤ are used. Compact expressions are obtained without using angular-momentum projectors. In the case of an even number of particles, a new proof of positivity for the pairing plus quadrupole model is given, which is angular-momentum and parity projected to J π = 0 + . It is shown that the propagator in the functional integral is reduced to a Hermitian positive-definite propagator by the use of angular-momentum eigenstates.
We discuss exact functional integral expressions for many-body matrix elements of the type ⟨ψ, A |e −βĤ |ψ, A ⟩, between particle number projected Hartree–Fock–Bogoliubov (HFB) wavefunctions with time-reversal symmetry. A proof of positivity is given for a class of Hamiltonians and when the HFB wavefunctions with time-reversal symmetry are particle number projected to an even number of particles. We show explicitly how to reduce the propagator in the functional integral to a Hermitian positive definite propagator for particle pairs. This result generalizes that previously obtained using Bardeen–Cooper–Schrieffer wavefunctions.
In this work, I present closed-form formulas for the norm and many-body density matrices between wave functions with exact particle numbers in pairing theory. The expressions, written as sums of Pfaffians and minors, apply to both even and odd particle-number systems and to pair condensates as well as broken-pair configurations. This formalism facilitates calculations using the generator coordinate method and symmetry restoration techniques, such as angular momentum projection. I apply these formulas to 70^{70}70Ge and 69^{69}69Ge using the angular-momentum-projected number-conserved BCS theory. The calculations describe low-lying collective bands and provide an interpretation of their intrinsic structures.
In the present paper a number conserving random phase approximation is derived as a special case of the recently developed random phase approximation in general symmetry projected quasiparticle mean fields. All the occurring integrals induced by the number projection are performed analytically after writing the various overlap and energy matrices in the random phase approximation equation as polynomials in the gauge angle. In the limit of a large number of particles the well-known pairing vibration matrix elements are recovered. We also present a new analytically number projected variational equation for the number conserving pairing problem.
Ψ=Ψ Iˆ In view of the expansion (29.28), which holds for an arbitrary state function in the form Ψ = Ψ Ψ Ψ Ψ = Ψ Ψ Ψ∑ ∑ we may define the unit or identity operator as i iI ΨΨ=∑ =1 ˆ (33.4) Conversely, for every linear operator we can form a square matrix, in terms of a complete set of functions by multiplying the left-hand side of Eq.(33.3) by and integrating, which gives fˆ ,iΨ ∗Ψi ΨΨ=ΨΨ=ΦΨ=ΦΨ∫ ∗ Iffd iiii ˆˆˆV ΨΨ=ΨΨΨΨ= n ˆˆ Since ii b=ΦΨ this result is identical with that given by Eq.(33.1), provided we set Vˆˆ dfff kikiik ΨΨ=ΨΨ= ∫ ∗ (33.5) which are called the matrix elements of the linear operator in terms of the particular complete set of functions It is a straightforward matter to show that the rules of matrix algebra for addition, multiplication, associativity and distributivity (see Appendix II) apply to the matrix elements (33.5), following from their definition. Two properties of fˆ .iΨ matrix elements that are needed in quantum mechanics can be readily derived from Eq.(33.5). Using Eq.(29.19) we obtain ∗∗ =ΨΨ=ΨΨ= kiikkiik ffff ˆˆ (33.6) which means that if is a Hermitian operator, then its matrix representation in a complete set of functions is Hermitian. Hence, the elements in the principal diagonal of a Hermitian matrix must be real. When all the elements are real, the matrix must be symmetric. From Eq.(29.20) we have fˆ ikiikiik f δλλ =ΨΨ=ΨΨ ˆ (33.7) that is: if the functions are the eigenfunctions of the Hermitian operator the matrix representation is diagonal, and the matrix elements are the eigenvalues of the operator. A quantum mechanical problem can be stated in a differential equation form or in a matrix form. In both cases the solution consists of finding the eigenvalues and the eigenfunctions of an operator associated with a physical observable. In view of a matrix representation in any complete set of functions, the eigenvalue equation (29.20) must be formulated as iΨ ,fˆ (33.8) Ψ=Ψ λfˆ where the arbitrary eigenfunction Ψ can be expanded, as given by Eq.(29.4), in terms of a complete set of functions If we multiply Eq.(33.8) by and integrate, we obtain .iΨ ∗Ψi ˆ ˆ ˆV V ori i if d d f Iλ λ∗ ∗Ψ Ψ = Ψ Ψ Ψ Ψ = Ψ Ψ∫ ∫ i or also, in view of Eq.(33.4) k kki f λ ˆ This can be rewritten as = n 1 λ which reads (33.9) ⎟⎟ ⎟⎟ ⎟ ⎠ ⎞ ⎜⎜ ⎜⎜ ⎜ ⎝ ⎛ = ⎟⎟ ⎟⎟ ⎟ ⎠ ⎞ ⎜⎜ ⎜⎜ ⎜ ⎝ ⎛ ⎟⎟ ⎟⎟ ⎟ ⎠ ⎞ ⎜⎜ ⎜⎜ ⎜ ⎝ ⎛ a a a a a a fff fff fff …… … ……… … … λ Equation (33.6) is called the matrix eigenvalue equation and consists of n linear homogenous equations for the given by ,ka ( ) 0... 1212111 =+++− nnafafaf λ ( ) 0... 2222121 =++−+ nnafafaf λ (33.10) ……… ( ) 0...2211 =−+++ nnnnn afafaf λ This system of simultaneous equations has a nontrivial solution for the if and only if the characteristic determinant vanishes ( ) ( ) ( ) ( ) 01ˆˆdet = ⎟⎟ ⎟⎟ ⎟ ⎠ ⎞ ⎜⎜ ⎜⎜ ⎜ ⎝ ⎛ − − − =− λ λ λ λ nnnn fff fff fff f … ……… … … (33.11) If expanded, the determinant gives a polynominal of nth degree called the characteristic polynominal of fˆ with n roots which are the desired eigenvalues. For each eigenvalue Eqs.(33.10) can be solved for the giving the corresponding eigenfunction that is a column matrix.
Any exact eigenstate with a definite momentum of a many-body Hamiltonian can be written as an integral over a symmetry-broken function $\ensuremath{\Phi}$. For two particles, we exactly express $\ensuremath{\Phi}$ in terms of (single-particle) orbitals for all energy levels and any interparticle interaction. Especially for the ground state, $\ensuremath{\Phi}$ is given by the simple Hartree-Fock and Hartree Ans\"atze for fermions and bosons, respectively. Implications for several and many particles as well as a numerical example for interacting bosons are provided.
Formulas are obtained which give the matrix representation, relative to a product basis, of the projection operator for the total angular momentum of a system. If the individual angular momenta are not too large, the matrix elements depend upon a small number of parameters, independent of the number of angular momenta coupled. Recurrence relations between elements and symmetry properties of elements are derived. These results enable one to perform the vector coupling of a large number of angular momenta in a relatively simple fashion. The connection between the matrix elements and vector coupling coefficients is discussed. Several important special cases are treated in detail.