Literature DB >> 24116559

Solving the Schroedinger equation using Smolyak interpolants.

Gustavo Avila1, Tucker Carrington.   

Abstract

In this paper, we present a new collocation method for solving the Schroedinger equation. Collocation has the advantage that it obviates integrals. All previous collocation methods have, however, the crucial disadvantage that they require solving a generalized eigenvalue problem. By combining Lagrange-like functions with a Smolyak interpolant, we device a collocation method that does not require solving a generalized eigenvalue problem. We exploit the structure of the grid to develop an efficient algorithm for evaluating the matrix-vector products required to compute energy levels and wavefunctions. Energies systematically converge as the number of points and basis functions are increased.

Year:  2013        PMID: 24116559     DOI: 10.1063/1.4821348

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  2 in total

1.  A-VCI: A flexible method to efficiently compute vibrational spectra.

Authors:  Marc Odunlami; Vincent Le Bris; Didier Bégué; Isabelle Baraille; Olivier Coulaud
Journal:  J Chem Phys       Date:  2017-06-07       Impact factor: 3.488

2.  Optical rectification and absorption coefficients studied by a short-range topless exponential potential well with inverse square root.

Authors:  Qiucheng Yu; Kangxian Guo; Meilin Hu
Journal:  Sci Rep       Date:  2019-02-19       Impact factor: 4.379

  2 in total

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