Real‐time feedback from iterative electronic structure calculations

  title={Real‐time feedback from iterative electronic structure calculations},
  author={Alain C. Vaucher and Moritz P. Haag and Markus Reiher},
  journal={Journal of Computational Chemistry},
  pages={805 - 812}
Real‐time feedback from iterative electronic structure calculations requires to mediate between the inherently unpredictable execution times of the iterative algorithm used and the necessity to provide data in fixed and short time intervals for real‐time rendering. We introduce the concept of a mediator as a component able to deal with infrequent and unpredictable reference data to generate reliable feedback. In the context of real‐time quantum chemistry, the mediator takes the form of a… Expand
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