Releases: Nevensky/2DMaterialsOpticalProps
Releases · Nevensky/2DMaterialsOpticalProps
Beta 0.5
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.