https://github.com/theochem/fanpy
Projectively-optimized geminal and "fancyCI" wavefunctions
https://github.com/theochem/fanpy
Last synced: 9 months ago
JSON representation
Projectively-optimized geminal and "fancyCI" wavefunctions
- Host: GitHub
- URL: https://github.com/theochem/fanpy
- Owner: theochem
- License: other
- Created: 2015-11-20T22:01:40.000Z (over 10 years ago)
- Default Branch: master
- Last Pushed: 2022-08-18T18:42:32.000Z (almost 4 years ago)
- Last Synced: 2025-03-31T01:06:49.079Z (over 1 year ago)
- Language: Python
- Homepage:
- Size: 10 MB
- Stars: 17
- Watchers: 11
- Forks: 2
- Open Issues: 19
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Metadata Files:
- Readme: README.md
- License: LICENSE
Awesome Lists containing this project
README
APseqG, APsetG
See open-shell paper.
APr2G
http://www.sciencedirect.com/science/article/pii/S2210271X12004963
AP1roG
http://pubs.acs.org/doi/ipdf/10.1021/ct300902c
Mixed discriminant Ryser algorithm
http://www.sciencedirect.com/science/article/pii/0024379589900098
Permanent Ryser algorithm
https://arxiv.org/abs/0904.3251
Rectangular Borchardt permanent
http://arxiv.org/abs/math/0003072
Permanent/mixed discriminant derivatives
http://repository.uwyo.edu/ela/vol27/iss1/18/