We investigate the influence of an external, static electric field upon the relationship between
the structure, spatial distribution of electron density, and linear and nonlinear polarizabilities …

This article summarizes the detailed equations for the time‐dependent Hartree–Fock
treatment of nonlinear properties for perturbations made up of a static electric field and an …

Diagrammatic valence-bond (DVB) theory is extended to dynamic nonlinear susceptibilities
of interacting 1T electrons in Pariser-Parr-Pople (PPP) or other quantum cell models whose …

The static dipole polarizability, first and second hyperpolarizability tensors of molecules with
nonlinear optical characteristics are calculated via ab initio coupled-perturbed Hartree-Fock …

Recent advances in nonlinear optics and strong-field chemistry highlight the need for
calculated properties of organic molecules and their molecular ions for which no …

The third-order nonlinear optical susceptibility χ (3)(-3ω; ω, ω, ω) of thin films of poly (p-
phenylenevinylene)(PPV) and several corresponding oligomers (OPV-n) has been …

This paper theoretically investigated the correlation between the open-shell electronic
structure and third-order nonlinear optical (NLO) properties of one-dimensional (1D) stacked …

Polarizability is a fundamental property of all molecular systems describing the deformation
of the molecular electronic density in response to an applied electric field. The question of …

Abstract Poly (triacetylene) s [PTAs,(C C CR CR C C) n–] are a new class of
linearly conjugated polymers with a nonaromatic all‐carbon backbone. To explore structure …

The present study describes a new approach in the molecular design of second-order
nonlinear optical (NLO) materials through the use of heterocyclic betaines. The new …