Solving the Schroedinger equation using Smolyak interpolants

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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. © 2013 AIP Publishing LLC.

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APA

Avila, G., & Carrington, T. (2013). Solving the Schroedinger equation using Smolyak interpolants. Journal of Chemical Physics, 139(13). https://doi.org/10.1063/1.4821348

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