Concepedia

NLOphoric rigid pyrazino-phenanthroline donor-π-acceptor compounds: Investigation of structural and solvent effects on non-linear optical properties using computational methods

Shantaram Kothavale, Santosh Katariya, Nagaiyan Sekar

Optical Materials · 2017 · 20 citations · 81 references

DOI

Concepts

References

81

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

, , +15

A new mixing of Hartree–Fock and local density-functional theories

Axel D. Becke · The Journal of Chemical Physics · 1993 · 16.4K citations

, , +11

Molecular Compounds and their Spectra. II

Robert S. Mulliken · Journal of the American Chemical Society · 1952 · 2.4K citations

, , +4

Hyperpolarizabilities of the nitroanilines and their relations to the excited state dipole moment

J Oudar, D. S. Chemla · The Journal of Chemical Physics · 1977 · 2.2K citations

, , +9