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Zeitschrift für Naturforschung A

Zur Konvergenz der einzeitigen Tamm-Dancoff-Methode beim anharmonischen Oszillator

Harald Stumpf, F. Wagner, F. Wahl

Published Nov 1, 1964• 12 citations
Publisher

Abstract

As in the usual quantum field theory, the states, and therefore also the eigenvalue spectrum of an anharmonic oscillator can be characterized by means of the so-called τ-functions, that is the matrix element of the type 〈0 | qn | j〉. For the calculation of these matrix elements, the equation of motion of the anharmonic oscillator can be used to obtain an infinite set of equations, which define an eigenvalue problem. To solve it a new set of functions, the so-called φ-functions, are introduced by means of a transformation, whose matrix corresponds formally to the WICK rule. An analysis of this infinite system of φ-equations shows that a convergent secular polynomial can be obtained, which exists as a limiting value of the polynomials for the truncated N φ -equationsystems in the limit N → ∞ . It is therefore permissible to calculate the eigenvalues of the infinite system in an approximate way from the truncated systems. Such an approximation procedure is the essential content of the so-called TAMM-DANCOFF method. The above mentioned convergence of the determinants therefore provides its justification. The convergence of the eigenvalues of the truncated systems to the exact oscillator values is numerically examined up to N= 20. The results are satisfactory.

DOI
10.1515/zna-1964-1102

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Zeitschrift für Naturforschung A•Aug 1, 1976•1 citation
As in the usual quantum field theory, the states, and therefore also the eigenvalue spectrum of an anharmonic oscillator can be characterized by means of the so-called τ-functions, that is the matrix element of the type 〈0 | qn | j〉. For the calculation of these matrix elements, the equation of motion of the anharmonic oscillator can be used to obtain an infinite set of equations, which define an eigenvalue problem. To solve it a new set of functions, the so-called φ-functions, are introduced by means of a transformation, whose matrix corresponds formally to the WICK rule. An analysis of this infinite system of φ-equations shows that a convergent secular polynomial can be obtained, which exists as a limiting value of the polynomials for the truncated N φ -equationsystems in the limit N → ∞ . It is therefore permissible to calculate the eigenvalues of the infinite system in an approximate way from the truncated systems. Such an approximation procedure is the essential content of the so-called TAMM-DANCOFF method. The above mentioned convergence of the determinants therefore provides its justification. The convergence of the eigenvalues of the truncated systems to the exact oscillator values is numerically examined up to N= 20. The results are satisfactory.
This is an investigation of an anharmonic oscillator characterized by the potential (ω02/ 2) q2 + λ′ q4. By using the exact relations obtained by evaluating ≪i|[H, O]∓|j > where O is an arbitrary operator, H is our total Hamiltonian and |i > and |j > are exact eigenstates of H, we derive an exact recurrence formula. This formula allows us to express τ-functions with a higher power of the variables through τ-functions with a lower power of the variables and energy eigenvalues. In this way we derive several exact relations, which are, in a sense, generalizations of the virial theorem and sum rules (Eqs. (4·5), (4·6) and (5·4)). These exact relations are the central equaions of this paper. On the basis of these exact relations we propose our “nearest neighbour level” (N. N. L) approximation, which seems to provide a good approximation scheme. We can also use our exact relations to test the validity of various approximation methods, and as an example, we discuss the “New-Tamm-Dancoff” (N. T. D)-type of approximation in detail.
For an anharmonic oscillator, it follows from the number of zeros of the exact wave functions as functions of the quantum number nnn that the matrix elements $〈n|x|{n}^{\ensuremath{'}}〉$ and $〈n|p|{n}^{\ensuremath{'}}〉$ should be rapidly decreasing functions of $|n\ensuremath{-}{n}^{\ensuremath{'}}|$. Matrix elements of polynomials in xxx and ppp should therefore be well approximated by a finite number of terms in their sum-rule decomposition. From the matrix elements of the equations of motion for xxx and for ppp and of the commutator ∣x,p∣|x,p|∣x,p∣, one thereby obtains closed sets of nonlinear algebraic equations to characterize subspaces of the Hilbert space of exact eigenfunctions. The approximations are also derived from a novel variational principle, and numerous variant approximation schemes are suggested. Essentially exact numerical results are obtained and compared with previous work. The broad applicability of the techniques is emphasized.
The theory of solution for quantum field functional equations as developped in II and III for a suitable test problem of quantum mechanics is investigated in low approximations. In Sect. 1 the functional formulation of the anharmonic oscillator is once more given and in Sect. 2 general translational equivalent functional equations. The expansion of the physical state functional into series of unsymmetrical and symmetrical base functionals and the representation of the functional equations for such expansions are discussed in Sect. 3. In the next Sect. 4 the unsymmetrical DYSON representation is investigated and the explicit representation of the smeared out functional equation by an infinite system of equations is derived. Then in Sect. 5 and 6 the system of equations is truncated for N = 3 and the corresponding eigenvalue equation is considered. The same is done in Sect. 7 and 8 for the HERWITTE representation. In the following Sect. 9 the original functional equation in a not smeared out form is treated in the DYSON representation and the corresponding system of unsymmetrized equations is given. Furthermore in Sect. 10 the N = 3 approximation together with other possibilities is investigated again. Finally the numerical results of our calculations for eigenvalues are stated and discussed. In the appendices technical details are derived.
Matrix mechanic methods are used to find approximate equations and solutions for quantum anharmonic oscillator problems. A series of hypotheses are introduced that truncate and partially decouple the infinite set of coupled equations that specify the problem in the matrix mechanics formulation. The dependent variables or unknowns in these equations are the matrix elements of the coordinate and momentum operators. The independent variables are the matrix indices and coupling strengths. The equations themselves specify that the off diagonal matrix elements of the Hamiltonian and the commutators expressed in terms of the unknowns vanish and that the diagonal commutator matrix elements vanish except for canonical pairs in which case they are equal to −ih/. The truncation and decoupling hypotheses offer an orderly procedure for dealing approximately with the vast array of equations of the exact problems. Only the leading behavior of the coordinate and momentum operator matrix elements is found in terms of the matrix indices and coupling parameters. Although general techniques are presented to find the equations, the solutions discussed and the applications are brief extensions of problems that have already been treated.
The canonical quantum Hamiltonian eigenvalue problem for an anharmonic oscillator with a Lagrangian L = \dotϕ^2/2 - m^2 ϕ^2/2 - g m^3 ϕ^4 is numerically solved in two ways. One of the ways uses a plain cutoff on the number of basis states and the other employs a renormalization group procedure. The latter yields superior results to the former because it allows one to calculate the effective Hamiltonians. Matrices of effective Hamiltonians are quite small in comparison to the initial cutoff but nevertheless yield accurate eigenvalues thanks to the fact that just eight of their highest-energy matrix elements are proper functions of the small effective cutoff. We explain how these cutoff-dependent matrix elements emerge from the structure of the Hamiltonian and the renormalization group recursion, and we show that such small number of cutoff-dependent terms is sufficient to renormalize any band-diagonal Hamiltonian.
Abstract Instead of emphasizing the ground state as is done in Green's function method, we take a finite-dimensional subspace of the Hilbert space: the space of the "intermediate states". A systematic introduction of intermediate states is effected by an extension of the method of generating functionals: we combine the generating functionals of the n-point Green's functions to a "matrix functional" T, and form new matrix functionals, which are matrix functions of T. The aim of this paper is to develop the functional calculus in such a way that the transition from scalar functionals to matrix functionals is straightforward, and the method of obtaining further results becomes clear. Following the lines of Dürr and Wagner we get u η-and ζ-rules with intermediate states". Using them we define a truncation procedure for the equations of motion of the n-point Green's functions, the "New Tamm-Dancoff method with intermediate states". This extension makes it possible to treat the effect of nearby levels in many body systems with Green's functions. In ad-dition to well-known approximations, such as the Hartree-Fock and the Hartree-Bogoliubov theory, the RPA and the quasiparticle RPA, we obtain a series of new approximations. Among these are the "Hartree-Fock theory with intermediate states" and the "random-phase approximation with intermediate states", which we already applied with great success to some exactly soluble models.