A fourth-order real-space algorithm for solving local Schrödinger equations
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An imaginary-time-step method for solving the local, three-dimensional Schrödinger equation by use of fourth-order factorizations of the evolution operator is presented. It is demonstrated that fourth-order factorizations improve the convergence of the basic algorithm by typically a factor of 100 or more.
author list (cited authors)
Auer, J., Krotscheck, E., & Chin, S. A.