On the performance of range-separated hybrid in computations of dynamic quadratic polarizability of solution-phase organic molecules: a comparison to MP2(Full) calculation-Reference-Cited by-同舟云学术

On the performance of range-separated hybrid in computations of dynamic quadratic polarizability of solution-phase organic molecules: a comparison to MP2(Full) calculation

Published:2014-11-04 Issue:1 Volume:134 Page:
ISSN:1432-881X
Container-title:Theoretical Chemistry Accounts
language:en
Short-container-title:Theor Chem Acc

Author:

Lu Shih-I

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry

Link

http://link.springer.com/content/pdf/10.1007/s00214-014-1589-z.pdf

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4. Peach MJG, Tellgren EI, Sałek P, Helgaker T, Tozer DJ (2007) Structural and electronic properties of polyacetylene and polyyne from hybrid and Coulomb-attenuated density functionals. J Phys Chem A 111(46):11930–11935. doi: 10.1021/jp0754839

5. Perpète EA, Jacquemin D, Adamo C, Scuseria GE (2008) Revisiting the nonlinear optical properties of polybutatriene and polydiacetylene with density functional theory. Chem Phys Lett 456(1–3):101–104. doi: 10.1016/j.cplett.2008.02.086

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