libwfa: Wavefunction analysis tools for excited and open‐shell electronic states
An open-source software library for wavefunction analysis, libwfa, provides a comprehensive and flexible toolbox for post-processing excited-state calculations, featuring a hierarchy of interconnected visual and quantitative analysis methods. These tools afford compact graphical representations of v...
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| Main Authors: | , , |
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| Format: | Default Article |
| Published: |
2022
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| Subjects: | |
| Online Access: | https://hdl.handle.net/2134/18319385.v1 |
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