Published April 2, 2020
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Script for: A generalized few-state model for the first hyperpolarizability
- 1. Indian Institute of Technology Bhilai
- 2. UiT - The Arctic University of Norway
Description
This script is generated to perform Generalized Few States Model calcualtion for static first hyperpolarizability. The script requires an LSDALTON output file for the transition dipole moment (TDM) matrix calculation. Depending on the number of excited states calculated in the said TDM calculation, the script might need a slight modification (in particular the "paste" part, which anyone having some basic idea about bash script can perform. The authors do not claim any copyright for this material and declare that the whole script was developed by Dr. Md. Mehboob Alam and the corresponding manuscript (not containing the script) is sent for publication.
Notes
The authors gratefully acknowledge support from the Norwegian Supercomputing facility (NOTUR, Grant No. NN4654K) and from the Research Council of Norway through a Centre of Excellence grant (Grant No. 262695) and a research grant (Grant No. 250743). MMA acknowledges the ``Research Initiation Grant" provided by the Indian Institute of Technology Bhilai to him.
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