From: Monika L. <mo...@ch...> - 2009-06-08 08:24:23
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Dear Ulf, dear Burkhard, I am trying to run one of your demo-files (Quantum dynamics driven by external fields, Electronic excitation of molecules) but with a inital wavefunction read from a file instead of a initial Gaussian wavefunction. However, I am not sure about the exact input for @wav_interp which is required in initialize.m. Could you help me with a demo file using @wav_interp or a description of the required parameters? Thank you very much for your help, Monika -- Monika Leibscher, PhD E-mail: mo...@ch... Freie Universität Berlin Institut für Chemie und Biochemie Takustr. 3 Tel: (++49 30) 838 55302 D-14195 Berlin FAX: (++49 30) 838 54792 |