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Releases: Nevensky/2DMaterialsOpticalProps

Beta 0.5

01 Sep 15:43
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2DMaterialsOpticalProps — 0.5 Beta Release
We’re excited to unveil the beta release of 2DMaterialsOpticalProps, an ab initio toolkit for exploring the optical response and spectroscopy of quasi-two-dimensional materials using advanced quantum-electrodynamic many-body theory
GitHub.

What’s inside:

  • RPA current–current tensor (via Optabs.f90)
  • GW self-energy & screened Coulomb interaction (via Sloss.f90)
  • BSE solver for excitonic effects (via BSE.f90)
  • Photon Dyson equation analysis for plasmon/exciton–polariton behavior (via Photon.f90)

All stages harness a Bloch basis from Quantum ESPRESSO, enabling comprehensive simulation workflows
GitHub.

Highlights:

  • Produces spectra like optical absorption, EELS, dispersion relations—including plasmon and exciton-polariton features
  • Ready-to-use Makefile supports major Fortran compilers (ifort, gfortran, etc.), with OpenMP for parallel performance
    GitHub.
  • Based on a rigorous Quantum-Electrodynamic Many-Body framework, complete with GW corrections and self-consistent screening
    GitHub.