Diradical Character View of (Non)Linear Optical Properties
作者： Masayoshi Nakano
DOI: 10.1007/978-3-319-08120-5_4
关键词:
摘要: In this chapter, we clarify the diradical character dependences of (hyper)polarizabilities, which are molecular origins (non)linear optical responses, in static and resonant cases based on excitation energies properties two-site symmetric asymmetric models with two electrons active orbitals. The analysis results highlight differences response between open-shell closed-shell systems, contribute to construction novel design guidelines for highly efficient nonlinear systems.
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