Quantum mechanical basis for Mulliken population analysis
DOI10.1023/B:JOMC.0000044221.23647.20zbMATH Open1056.81086OpenAlexW2055528457WikidataQ62511346 ScholiaQ62511346MaRDI QIDQ703965FDOQ703965
Authors: R. Carbó-Dorca, Patrick Bultinck
Publication date: 12 January 2005
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1023/b:jomc.0000044221.23647.20
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- Minimal set of molecule-adapted atomic orbitals from maximum overlap criterion
- Topological population analysis from higher order densities. II: The correlated case
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- A general procedure to obtain quantum mechanical charge and bond order molecular parameters
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