Fourth order gradient symplectic integrator methods for solving the time-dependent Schrodinger equation Academic Article uri icon

abstract

  • A technique to solve time-dependent Schrodinger equation was proposed. The technique was based on splitting of the operator e(T+V)) to fourth order with positive coefficients. Four fast Fourier transformations per iteration were needed for one fourth order algorithm. The higher order algorithms with intermediate negative time steps were found to be more optimal.

published proceedings

  • JOURNAL OF CHEMICAL PHYSICS

author list (cited authors)

  • Chin, S. A., & Chen, C. R.

citation count

  • 59

complete list of authors

  • Chin, SA||Chen, CR

publication date

  • May 2001