MAJOR UPDATE including XsTD-DFT and XsTDA methods and changing the name from stda to std2
08.01.2024: Version 2.0.0:
- interfaced by default to libcint (magnetic moment one-electron integrals still computed with the old integral deck)
- XsTDA (restricted and unrestricted[only excited states]) for global hybrids and range-separated hybrids
- XsTD-DFT (restricted and unrestricted[only excited states]) for global hybrids and range-separated hybrids
- SF-XsTD-DFT for global hybrids
- CAM-B3LYP, wB97X-D2, wB97X-D3, wB97MV, SRC2R1, and SRC2R2 RSH functionals natively implemented with XsTD
Thanks to Dr Pierre Beaujean (@pierre-24) for his precious help with the integration with GFortran as well as for the 64 bits support.
Contributors
pierre-24