A fourth-order real-space algorithm for solving local Schrödinger equations Academic Article uri icon

abstract

  • 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.

citation count

  • 41

publication date

  • October 2001