2006/06/05 by A. D. Alhaidari, H. Bahlouli, M S Abdelmonem +3
Biochemistry, Genetics and Molecular Biology · Chemistry · Physics and Astronomy · #Advanced NMR Techniques and Applications #Atomic and Molecular Physics #Electron Spin Resonance Studies #quant-ph
paper · pdf · doi:10.1016/j.physleta.2006.12.027
published as Physics Letters A 364.5 (2007) 372--377 · 10 pages
arxiv created 2006/06/05 · openalex publication_date 2006/12/20 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
In three dimensional scattering, the energy continuum wavefunction is obtained by utilizing two independent solutions of the reference wave equation. One of them is typically singular (usually, near the origin of configuration space). Both are asymptotically regular and sinusoidal with a phase difference (shift) that contains information about the scattering potential. Therefore, both solutions are essential for scattering calculations. Various regularization techniques were developed to handle the singular solution leading to different well-established scattering methods. To simplify the calculation the regularized solutions are usually constructed in a space that diagonalizes the reference Hamiltonian. In this work, we start by proposing solutions that are already regular. We write them as infinite series of square integrable basis functions that are compatible with the domain of the reference Hamiltonian. However, we relax the diagonal constraint on the representation by requiring that the basis supports an infinite tridiagonal matrix representation of the wave operator. The hope is that by relaxing this constraint on the solution space a larger freedom is achieved in regularization such that a natural choice emerges as a result. We find that one of the resulting two independent wavefunctions is, in fact, the regular solution of the reference problem. The other is uniquely regularized in the sense that it solves the reference wave equation only outside a dense region covering the singularity in configuration space. However, asymptotically it is identical to the irregular solution. We show that this natural and special regularization is equivalent to that already used in the J-matrix method of scattering.