Interaction induced (hyper)polarizability in Ne⋯Ar

Bond length dependence of the polarizability and hyperpolarizability of boron hydride

“…We refer to recent work by Quinet and Champagne for a systematic presentation of the connection of polarizability and hyperpolarizability derivatives to Raman [10] and hyper-Raman [11] spectra. Moreover, one should emphasize the uninterrupted interest in the theoretical prediction of interactioninduced hyperpolarizabilities [12][13][14][15][16][17], and their great effect on the determination of collisioninduced hyper-Rayleigh spectra [18][19][20][21][22].…”

On the weak intermolecular interactions and their influence on the optical properties of unsaturated hydrocarbons. Part 1: Two-body interactions

“…However, in this work we are interested primarily in the interaction induced changes of polarizabilities and second-order hyperpolarizabilities. This phenomenon has been studied previously in various systems [12,14,22,24,28,[47][48][49]. Generally, the intermolecular interactions have a strong impact on the molecular properties of interacting subsystems and the effective (hyper)polarizability of an entire cluster is rarely equal to the sum of properties of isolated molecules.…”

“…On the other hand, in the case of hydrogen bonded complexes, a significant increase of nonlinear optical properties is observed [28,50]. However, there are known exceptions, like for instance the aggregates of water molecules, in which case the polarizability seems to be an almost additive quantity [47,49].…”

Charge distribution, electric multipole moments, static polarizability and hyperpolarizability of silene

“…The selection or rather the preparation of suitable basis sets relies much on experience and intuition. We lean heavily on a computational philosophy, tested extensively on atoms [38], diatomic [39,40] and triatomic [41,42] molecules, symmetric polyatomics, clusters [43] and interacting atom-atom [44] or atom-molecule [45] pairs, to prepare molecule-specific basis sets for silene. The use of systematic sequences of basis sets allows a clear understanding of basis set effects.…”