Electron Correlation Effects on the Longitudinal Polarizabilities and Second Hyperpolarizabilities of Polyenes: A Finite Field Study

<table>Longitudinal second hyperpolarizabilities per unit cell <svg height="17.225" id="M31" style="vertical-align:-3.13504pt" version="1.1" viewbox="0 0 49.6875 17.225" width="49.6875" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink">
<g transform="matrix(.017,-0,0,-.017,.062,12.138)"><path d="M300 -147l-18 -23q-106 71 -159 185.5t-53 254.5v1q0 139 53 252.5t159 186.5l18 -24q-74 -62 -115.5 -173.5t-41.5 -242.5q0 -130 41.5 -242.5t115.5 -174.5z" id="x28"></path></g><g transform="matrix(.017,-0,0,-.017,5.944,12.138)"><path d="M478 372q0 -39 -31 -97t-61 -98t-78 -98q-45 -55 -73 -102q-13 -79 -13 -197q-11 -11 -43.5 -25.5t-53.5 -15.5l-15 17q5 35 26 101.5t47 123.5q8 72 -1.5 174.5t-37.5 178.5q-14 37 -29 37q-20 0 -67 -65l-25 21q37 60 73 90.5t63 30.5q47 0 72 -112q13 -56 17.5 -141.5
t0.5 -143.5h2q155 193 155 297q0 26 -12 47q-5 8 -5 15q0 16 12.5 27t29.5 11q21 0 34 -21t13 -55z" id="x1D6FE"></path></g>
<g transform="matrix(.012,-0,0,-.012,14.462,17.162)"><path d="M559 163q-23 -66 -68 -163h-474l6 26q62 4 79.5 19.5t28.5 75.5l78 409q7 35 8.5 49t-8 25t-24 13t-51.5 5l5 28h266l-6 -28q-65 -5 -79.5 -18t-25.5 -74l-76 -406q-10 -57 14 -75q12 -13 96 -13q93 0 126 29q41 40 76 109z" id="x1D43F"></path></g>
<g transform="matrix(.017,-0,0,-.017,21.875,12.138)"><path d="M368 703l-264 -866h-60l265 866h59z" id="x2F"></path></g><g transform="matrix(.017,-0,0,-.017,28.878,12.138)"><path d="M857 650l-6 -28q-44 -4 -61.5 -16.5t-29.5 -48.5q-11 -32 -37 -166l-78 -399h-29l-351 537h-4l-56 -276q-24 -120 -24 -164q0 -35 17.5 -46t75.5 -15l-6 -28h-245l7 28q41 2 62 14t31 44q10 30 41 171l53 245q8 44 6.5 60.5t-14.5 33.5q-10 15 -27 19.5t-64 6.5l6 28h153
l350 -516h5l48 257q25 131 25 171q0 34 -17.5 45t-77.5 15l7 28h240z" id="x1D441"></path></g><g transform="matrix(.017,-0,0,-.017,43.735,12.138)"><path d="M275 270q0 -296 -211 -440l-19 23q75 62 116.5 174t41.5 243t-42 243t-116 173l19 24q211 -144 211 -440z" id="x29"></path></g>
</svg> of polyenes (in 10<sup>4</sup> a.u.) obtained by various quantum chemical methods with 6-31G basis set.</table>

International Journal of Photoenergy

fig3

Figure 3

Figure 3: Electron Correlation Effects on the Longitudinal Polarizabilities and Second Hyperpolarizabilities of Polyenes: A Finite Field Study 