Published September 1, 2025
| Version v3.8.2
Software
Open
grimme-lab/ptb: v3.8.2-submatrix
Authors/Creators
- 1. @aspuru-guzik-group
- 2. Paderborn Center for Parallel Computing @DCM-UPB
- 3. Microsoft Research, AI for Science
Description
Density matrix (P) tight-binding (TB)
Files
grimme-lab/ptb-v3.8.2.zip
Files
(16.4 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:b0dae268345af761c399e7a644144afd
|
16.4 MB | Preview Download |
Additional details
Related works
- Is supplement to
- Software: https://github.com/grimme-lab/ptb/tree/v3.8.2 (URL)
Software
- Repository URL
- https://github.com/grimme-lab/ptb