Calculations on nonlinear optical properties for large systems The elongation method /

• Main Authors: Gu, Feng Long (Author), Aoki, Yuriko (Author), Springborg, Michael (Author), Kirtman, Bernard (Author)
• Corporate Author: SpringerLink (Online service)
• Format: Electronic eBook
• Language: English
• Published: Cham : Springer International Publishing : Imprint: Springer, 2015.
• Series: SpringerBriefs in Molecular Science,
• Subjects: Chemistry.; Chemistry, Physical and theoretical.; Proteins.; Optics.; Electrodynamics.; Nanotechnology.; Theoretical and Computational Chemistry.; Optics and Electrodynamics.; Protein Science.

For design purposes one needs to relate the structure of proposed materials to their NLO (nonlinear optical) and other properties, which is a situation where theoretical approaches can be very helpful in providing suggestions for candidate systems that subsequently can be synthesized and studied exp...