Effect of chlorine and bromine on the nonlinear optical, electronic, optoelectronic and thermodynamic properties on the BEDT-TTF molecule: ab-initio and DFT calculations-Reference-Cited by-同舟云学术

Effect of chlorine and bromine on the nonlinear optical, electronic, optoelectronic and thermodynamic properties on the BEDT-TTF molecule: ab-initio and DFT calculations

Published:2021-09-09 Issue:10 Volume:53 Page:
ISSN:0306-8919
Container-title:Optical and Quantum Electronics
language:en
Short-container-title:Opt Quant Electron

Author:

Mbala G. F. Olinga,Mveme C. D. D.,Ntieche Z.,Ejuh G. W.,Ndjaka J. M. B.,Abe M. T. Ottou

Publisher

Springer Science and Business Media LLC

Subject

Electrical and Electronic Engineering,Atomic and Molecular Physics, and Optics,Electronic, Optical and Magnetic Materials

Link

https://link.springer.com/content/pdf/10.1007/s11082-021-03211-4.pdf

Reference41 articles.

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3. Becke, A.D.: Density-functional exchange-energy approximation with correct asymptotic behavior. Phys. Rev. A 38, 3098–3101 (1988)

4. Bouchouit, K., et al.: χ(2) grating in ru derivative chromophores incorporated within the PMMA polymer matrices. J. Phys. Chem. B 108(39), 14942–14947 (2004)

5. Costa, S.N., et al.: DFT calculations with van der Waals interactions of hydrated calcium carbonate crystals CaCO3·(H2O, 6H2O): structural, electronic, optical, and vibrational properties. J. Phys. Chem. A 120, 5752–5765 (2016)

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