A general procedure to obtain quantum mechanical charge and bond order molecular parameters

DOI10.1023/B:JOMC.0000044219.02356.bezbMath1056.81085OpenAlexW2062944034WikidataQ62511304 ScholiaQ62511304MaRDI QIDQ703962

Patrick Bultinck, Ramon Carbó-Dorca

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.0000044219.02356.be

zbMATH Keywords

projection operatorsexpectation valuesbond ordersatomic chargesDensity analysisMulliken populationssecond order density

Mathematics Subject Classification ID

Molecular physics (81V55)

Related Items (3)

On the nature of the collective quantum mechanical description of molecular atoms and bonds ⋮ On density function coordinate matrix ⋮ Cooperative Effect of CH\(\cdots\)O bonds in models for biological systems

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