Multidimensional Supersymmetric Quantum Mechanics: A Scalar Hamiltonian Approach to Excited States by the Imaginary Time Propagation Method

作者：Chou Chia Chun^*; Kouri Donald J

来源：Journal of Physical Chemistry A, 2013, 117(16): 3449-3457.

DOI：10.1021/jp401068w

Supersymmetric quantum mechanics (SUSY-QM) is shown to provide a novel approach to the construction of the initial states for the imaginary time propagation method to determine the first and second excited state energies and wave functions for a two-dimensional system. In addition, we show that all calculations are carried out in sector one and none are performed with the tensor sector two Hamiltonian. Through our tensorial approach to multidimensional supersymmetric quantum mechanics, we utilize the correspondence between the eigenstates of the sector one and two Hamiltonians to construct appropriate initial sector one states from sector two states for the imaginary time propagation method. The imaginary time version of the time dependent Schrodinger equation is integrated to obtain the first and second excited state energies and wave functions using the split operator method for a two-dimensional anharmonic oscillator system and a two-dimensional double well potential. The computational results indicate that we can obtain the first two excited state energies and wave functions even when a quantum system does not exhibit any symmetry. Moreover, instead of dealing with the increasing computational complexity resulting from computations in the tensor sector two Hamiltonian, this study presents a new supersymmetric approach to calculations of accurate excited state energies and wave functions by directly using the scalar sector one Hamiltonian.

• 出版日期2013-4-25
• 单位清华大学