Nonlinear Optical Properties of Threefold Coordinated Paramagnetic Si Centers: An ab Initio Time-Dependent Hartree−Fock Study on SiH 3 Radical †

Geometrical effect on the nonlinear opti

Geometrical effect on the nonlinear optical properties of model rigid-rod polymers. Ab initio time-dependent coupled Hartree-Fock studies

✍ Shashi P. Karna; Vijaya Keshari; Paras N. Prasad 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 335 KB

The linear and nonlinear optical (NLO) properties of the cis and trans isomers of diphenylbenzobisoxazole (PBO) and diphenylbenzobisthiazole (PBT) have been calculated by ab initio time-dependent coupled perturbed Hartree-Fock method using a split-valence basis set. The second-order NLO susceptibili