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A Imaginary time propagation to find eigenfunctions

  1. Aug 2, 2016 #1
    Hi, I have been trying to use imaginary time propagation to get the ground state and excited states eigen function but the results I got is different from the analytical solution. I know that to get excited states, I should propagate 2 or more orthogonal functions depending on the number of excited states that you want. I just would like to check whether there is any requirement on the initial guess that you use to propagate. If I choose a random set of numbers to propagate, will it always contain my ground state?
     
  2. jcsd
  3. Aug 2, 2016 #2

    DrClaude

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    Staff: Mentor

    Most probably. After having found the ground state, any starting point to find the first excited state must be orthogonal to the ground state. If you start from a random guess, you need to first make it orthogonal to the ground state.
     
  4. Aug 13, 2016 #3

    chiro

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    Science Advisor

    Hey semc.

    What is your mathematical system you are solving for?
     
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