Static electronic and vibrational first hyperpolarizability of meta-dinitrobenzene as studied by quantum chemical calculations

R Zaleśny, G Wójcik, I Mossakowska… - Journal of Molecular …, 2009 - Elsevier
In the present study, we report on the results of computations of the electronic and the
vibrational contributions to the static first hyperpolarizability (β) of meta-dinitrobenzene …

On the contribution of mixed terms in response function treatment of vibrational nonlinear optical properties

B Kirtman, JM Luis - International Journal of Quantum …, 2011 - Wiley Online Library
A new response theory formulation for calculating second-order vibrational nonlinear optical
properties has been recently presented by Hansen et al., J Chem Phys, 2009, 131, 154101 …

Electron correlation effects on the electric properties of fluorinated polyacetylene

LM Abreu, TL Fonseca, MA Castro - The Journal of Chemical Physics, 2012 - pubs.aip.org
Using the Hartree-Fock (HF) and second-order Møller-Plesset perturbation theory (MP2)
methods with the 6-31G (d) basis set, we have investigated the chain length dependence of …