Theoretical and Computational Chemistry
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Dice_SD
Dice_SD PublicForked from sanshar/Dice
A version of Dice that includes a shifted Davidson (SD) algorithm as an optional substitute for the regular Davidson algorithm when performing HCI. This method is potentially useful for calculating…
C++
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1DResonance
1DResonance PublicA collection of informative Jupyter notebook files that demonstrate how the energy and width of a resonance can be extracted using the time-dependent schrodinger equation (TDSE) and the projected c…
Jupyter Notebook
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