A Hybrid Density Functional Theory/Molecular Mechanics Approach for Linear Response Properties in Heterogeneous Environments
Rinkevicius, Zilvinas, Li, Xin, Sandberg, Jaime A. R, Mikkelsen, Kurt V, Ågren, Hans
Published in Journal of chemical theory and computation (11.03.2014)
Published in Journal of chemical theory and computation (11.03.2014)
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Journal Article
Non-linear optical properties of molecules in heterogeneous environments: a quadratic density functional/molecular mechanics response theory
Rinkevicius, Zilvinas, Li, Xin, Sandberg, Jaime A R, Ågren, Hans
Published in Physical chemistry chemical physics : PCCP (01.01.2014)
Published in Physical chemistry chemical physics : PCCP (01.01.2014)
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Journal Article