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A differential method for bounding the ground state energy

Amaury Mouchet

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For a wide class of Hamiltonians, a novel method for obtaining lower and upper bounds for the lowest energy is presented. Unlike perturbative or variational techniques, this method does not involve the computation of any integral (a normalization factor or a matrix element). It just requires the determination of the absolute minimum and maximum in the whole configuration space of the local energy associated with a normalizable trial function (the calculation of the norm is not needed). After a general introduction, the method is applied to three non-integrable systems: the asymmetric annular billiard, the many-body spinless Coulombian problem, the hydrogen atom in a constant and uniform magnetic field. Being more sensitive than the variational methods to any local perturbation of the trial function, this method can be used to systematically improve the energy bounds with a local skilled analysis; an algorithm relying on this method can therefore be constructed and an explicit example for a one-dimensional problem is given.


PACS

03.65.-w Quantum mechanics

02.60.Jh Numerical differentiation and integration

02.30.-f Function theory, analysis

MSC

81Qxx General mathematical topics and methods in quantum theory

Subjects

Mathematical physics

Computational physics

Quantum information and quantum mechanics

Dates

Issue 5 (4 February 2005)

Received 20 October 2004, in final form 25 November 2004

Published 19 January 2005



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