Density functional and CIS(D) studies on the ground and excited electronic state properties of nitrogen dioxide

zbMATH Open1112.92072MaRDI QIDQ3445196FDOQ3445196

Authors: Alan Hinchliffe, Humberto J. Soscún, Ahmed Mkadmh, Fakhr M. abu-Awwad 

Publication date: 8 June 2007

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zbMATH Keywords

geometryexcited statepolarizabilitynitrogen dioxideDFThyperpolarizabilitydipole momentCISdiscrete fast Fourier transformCIS(D)

Mathematics Subject Classification ID

Computational methods for problems pertaining to biology (92-08) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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