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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Bibliographic Details
Main Authors: Felix Plasser, Anna I Krylov, Andreas Dreuw
Format: Default Article
Published: 2022
Subjects:
Information systems not elsewhere classified
excited states
excitons
quantum chemistry
wavefunction analysis
Information Systems
Online Access:https://hdl.handle.net/2134/18319385.v1
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