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arXiv:math-ph/0510071 · Journal of Physics A Mathematical and General

(Quasi)-convexification of Barta's (multi-extrema) bounding theorem:

Carlos R. Handy

Published Mar 15, 2006• 2 citations

Abstract

There has been renewed interest in the exploitation of Barta's configuration space theorem (BCST) (Barta 1937 C. R. Acad. Sci. Paris 204 472) which bounds the ground-state energy, , by using any Φ lying within the space of positive, bounded, and sufficiently smooth functions, . Mouchet's (Mouchet 2005 J. Phys. A: Math. Gen. 38 1039 ) BCST analysis is based on gradient optimization (GO). However, it overlooks significant difficulties: (i) appearance of multi-extrema; (ii) inefficiency of GO for stiff (singular perturbation/strong coupling) problems; (iii) the nonexistence of a systematic procedure for arbitrarily improving the bounds within . These deficiencies can be corrected by transforming BCST into a moments' representation equivalent, and exploiting a generalization of the eigenvalue moment method (EMM), within the context of the well-known generalized eigenvalue problem (GEP), as developed here. EMM is an alternative eigenenergy bounding, variational procedure, overlooked by Mouchet, which also exploits the positivity of the desired physical solution. Furthermore, it is applicable to Hermitian and non-Hermitian systems with complex-number quantization parameters (Handy and Bessis 1985 Phys. Rev. Lett. 55 931, Handy et al 1988 Phys. Rev. Lett. 60 253, Handy 2001 J. Phys. A: Math. Gen. 34 5065 , Handy et al 2002 J. Phys. A: Math. Gen. 35 6359 ). Our analysis exploits various quasi-convexity/concavity theorems common to the GEP representation. We outline the general theory, and present some illustrative examples.

DOI: 10.1088/0305-4470/39/13/019

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There has been renewed interest in the exploitation of Barta's configuration space theorem (BCST) (Barta 1937 C. R. Acad. Sci. Paris 204 472) which bounds the ground-state energy, , by using any Φ lying within the space of positive, bounded, and sufficiently smooth functions, . Mouchet's (Mouchet 2005 J. Phys. A: Math. Gen. 38 1039 ) BCST analysis is based on gradient optimization (GO). However, it overlooks significant difficulties: (i) appearance of multi-extrema; (ii) inefficiency of GO for stiff (singular perturbation/strong coupling) problems; (iii) the nonexistence of a systematic procedure for arbitrarily improving the bounds within . These deficiencies can be corrected by transforming BCST into a moments' representation equivalent, and exploiting a generalization of the eigenvalue moment method (EMM), within the context of the well-known generalized eigenvalue problem (GEP), as developed here. EMM is an alternative eigenenergy bounding, variational procedure, overlooked by Mouchet, which also exploits the positivity of the desired physical solution. Furthermore, it is applicable to Hermitian and non-Hermitian systems with complex-number quantization parameters (Handy and Bessis 1985 Phys. Rev. Lett. 55 931, Handy et al 1988 Phys. Rev. Lett. 60 253, Handy 2001 J. Phys. A: Math. Gen. 34 5065 , Handy et al 2002 J. Phys. A: Math. Gen. 35 6359 ). Our analysis exploits various quasi-convexity/concavity theorems common to the GEP representation. We outline the general theory, and present some illustrative examples.

Over the last decade, Handy and Bessis have developed a moment-problem-based, multiscale quantization theory, the eigenvalue moment method (EMM), which has proven effective in solving singular, strongly coupled, multidimensional Schr\"odinger Hamiltonians. We extend the scope of EMM by demonstrating its essential role in the generation of wavelet transforms for one-dimensional quantum systems. Combining this with the function-wavelet reconstruction formulas currently available, we are able to recover the wave function systematically, from first principles, through a multiscale process proceeding from large spatial scales to smaller ones. This accomplishment also addresses another outstanding problem, that of reconstructing a function from its moments. For the class of problems considered, the combined EMM-wavelet analysis yields a definitive solution. \textcopyright{} 1996 The American Physical Society.

For one-dimensional Schrödinger quantum systems, the correlation expression S ( x , τ, a ) ≡ Ψ*( x − τ/2/ a )Ψ( x + τ/2) satisfies a fourth-order linear differential equation with regard to x . This generalizes the result previously derived by Handy (2001 J. Phys. A: Math. Gen. 34 L271), and Handy and Wang (2001 J. Phys. A: Math. Gen. 34 8297), with regard to S ( x , 0, 1). We are then able to incorporate this within a generalized Wigner transform representation, through the use of scalets (Handy C R and Brooks H A 2001 J. Phys. A: Math. Gen. 34 3577). Energy quantization is achieved through a moment problem positivity analysis (focusing on the moments of the probability density, ∣Ψ∣ 2 ) at a = 1, τ = 0. The wavefunction, Ψ, is then generated through a multiscale analysis proceeding from the unity scale, extended into the zero scale limit. The power moments, μ p = ∫ d x x p Ψ( x ), can be generated through a similar procedure. We present the general formalism and apply it to the (i x ) 3 potential.