longitudinal polarizability
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2014 ◽  
Vol 22 (9) ◽  
pp. 10858 ◽  
Author(s):  
Jiunn-Woei Liaw ◽  
Wei-Jiun Lo ◽  
Mao-Kuen Kuo

2014 ◽  
Vol 2014 ◽  
pp. 1-6
Author(s):  
Qingxu Li ◽  
Xianju Zhou ◽  
Shiwei Yin

We carry out ab initio calculations, based on finite-field scheme, of the longitudinal polarizabilities (αL) and second hyperpolarizabilities (γL) of conjugated polyenes, and study the effects of electron correlation, with second-order Moller-Plesset perturbation theory and coupled cluster with singles and doubles method. Calculations with density functional theory are also made to compare with wave-function based methods. Our study shows that electron correlation reduces linear longitudinal polarizability and enhances longitudinal second hyperpolarizability for short polyenes, but the effects decrease as the chain increases; choosing appropriate basis sets is important when quantitative results are required.


2006 ◽  
Vol 110 (26) ◽  
pp. 12860-12864 ◽  
Author(s):  
Edward N. Brothers ◽  
Gustavo E. Scuseria ◽  
Konstantin N. Kudin

1999 ◽  
Vol 110 (5) ◽  
pp. 293-298 ◽  
Author(s):  
G Coli ◽  
R Cingolani

1995 ◽  
Vol 52 (1) ◽  
pp. 178-188 ◽  
Author(s):  
Benoît Champagne ◽  
David H. Mosley ◽  
Marjan Vrac̆ko ◽  
Jean-Marie André

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