Matter Modeling
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srk
  • Member for 3 years, 6 months
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https://beaconresearch.org/#%5B%5BProf.%20Steven%20R.%20Kirk%5D%5D

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14
Is there a repository for DFT pre/postprocessing scripts?
May 17, 2020
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7
Fitting GTOs to other density/wavefunction representations - state of the art?
Apr 3, 2022
question
5
Can a spin-flip TD-DFT singlet ground state wavefunction be written as a sum over MOs with occupancy information?
Apr 18, 2022

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