Information is created, processed, transported, and detected using electrons, photons,
phonons, or plasmons. Of these basic components of information technology, utilization of …

The Dirac variation-of-constants method has long provided a basis for perturbative solution
of the time-dependent Schrödinger equation. In spite of its widespread utilization, certain …

Hyper-Rayleigh scattering in solution is used for the determination of the hyperpolarizability
of nonlinear optical molecules. Obtaining the first hyperpolarizability β without having to …

We have used the technique of static field induced second harmonic generation in liquids to
determine the second order hyperpolarizability β, and the third order hyperpolarizability γ …

In the early 2000s, the first articles regarding the calculation of NMR parameters for natural
products appeared in the literature. Since then, modelling 1H and 13C chemical shifts and …

Nonlinear optical (NLO) materials have spanned a large area of science and technology
owning to their potential applications in optoelectronics. The invention of the first Ruby laser …

In the present investigation, for the first time, we have performed a thorough study about
different functionals and basis sets for linear and nonlinear optical (NLO) properties of para …

An all-valence-electron self-consistent-field linear-combination-of-atomic-orbitals molecular-
orbital procedure including configuration interactions for calculating the magnitude and sign …

The laser, now 25 years young, has opened up enormous opportunities to study nonlinear
optical phenomena. Within a year after the first successful laser, the feeble optical second …

Second harmonic generation (SHG) is reported for the first time from the surfaces of
centrosymmetric particles in bulk isotropic solution. Although SHG is generally described as …