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Published October 10, 2022 | Version v1.6.3
Software Open

grimme-lab/stda: stda version 1.6.3

Authors/Creators

  • 1. University of Bonn
  • 2. University of Namur
  • 3. Microsoft Research AI4Science
  • 4. RWTH Aachen University

Description

Standalone version for stda version 1.6.3. New features:

  • Evaluation of the two-photon cross-sections (now fully working)
  • RespA approach for the interpretation of molecular response properties
  • Dual-threshold method for the efficient treatment of large systems
  • Polarizability bug fixed

Files

grimme-lab/stda-v1.6.3.zip

Files (570.6 kB)

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md5:c5e7e9926577ca280d41cfdf26f473e8
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Additional details

Related works

Is supplement to
https://github.com/grimme-lab/stda/tree/v1.6.3 (URL)