Method of Correlated Basis Functions

John W. Clark and Paul Westhaus
Phys. Rev. 141, 833 – Published 21 January 1966
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Abstract

The method of correlated basis functions provides a means of systematically exploiting our intuitive understanding of real physical systems. Here we seek especially to develop a formalism for describing systems of strongly interacting fermions, for example, nuclei and liquid He3, using a complete set of correlated functions Ψm=FΦm(Φm, F2Φm)12. F is taken as a product of two-body factors, Πi<j[f(rij)], the f(rij) embodying at least the correlations arising from strong short-range repulsions; and {Φm}, a set of independent-particle-model functions which might serve as a basis in the absence of highly singular interactions. The matrix elements Hmn, Nmn of the Hamiltonian and identity operators with respect to the correlated basis {Ψm} are evaluated by generalization of cluster-expansion techniques developed originally for the calculation of the partition function of a classical imperfect gas and adapted to the quantum-mechanical many-body problem by Iwamoto and Yamada. Contributions to our expansions for the Hmn are classified according to order of magnitude in the quantity ρω, where ω=(f2(r)1)dr is a "correlation parameter" and ρ the average particle density. To the extent that |ρω| is small, it provides a true expansion parameter. A detailed technical discussion of the cluster expansions is given, with special emphasis on their symmetry properties upon truncation. Although the many-body problem is soluble by simultaneous diagonalization of the matrices (Hmn) and (Nmn), it is preferable first to transform to an orthonormal basis of "unperturbed" correlated functions {Θm} with respect to which the Hamiltonian and identity operators have the matrix representations (Hmn) and (Nmn)=(δmn), and then to attempt the separate diagonalization of (Hmn). In general, such a transformation is expedited by the Löwdin procedure carried out to the desired order in ρω. However, a Schmidt orthogonalization scheme might prove more advantageous in specific cases. Field-theoretic techniques (of both perturbative and nonperturbative nature) may be brought to bear in the diagonalization of (Hmn). The inverse of the unitary transformation which takes the basis {Φm} into the basis {Θm}, applied to the given singular Hamiltonian, leads—for any F in the class considered—to a non-singular "effective Hamiltonian." Following this formal cue, we set out to construct explicitly a second-quantized effective Hamiltonian which generates the same matrix elements, to prescribed order in ρω, when operating between independent-particle kets of the model occupation-number representation, as does the given Hamiltonian in the configuration-space representation, between the corresponding correlated functions of the Löwdin basis. The quasiparticles described by this effective Hamiltonian interact via well-behaved two-body, three-body, ···, Q-body, ··· potentials, in contrast to the highly singular two-body interactions of the real particles. For small |ρω|, the effective two-body forces predominate. An avenue to deeper understanding of the applicability of the nuclear-shell model and the dressed-quasiparticle theory of liquid He3 has been opened. This article treats only the formalism for a uniform extended medium. Numerical calculations, as well as the extension of the method to finite systems, will follow.

  • Received 28 January 1965

DOI:https://doi.org/10.1103/PhysRev.141.833

©1966 American Physical Society

Authors & Affiliations

John W. Clark and Paul Westhaus*

  • Wayman Crow Laboratory of Physics, Washington University, St. Louis, Missouri

  • *NASA Trainee.

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Issue

Vol. 141, Iss. 3 — January 1966

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