On the accurate theoretical determination of the static hyperpolarizability of trans-butadiene
G Maroulis - The Journal of chemical physics, 1999 - pubs.aip.org
The importance of molecular hyperpolarizability has been duly emphasized in early papers,
reviews, 1 and textbooks. 2 In late years the emergence of powerful quantum chemical
methods with enhanced predictive capabilities made possible the accurate determination of
these properties for large classes of molecular systems. 3 The current experimental interest
in the nonlinear optics of small molecules4 is having a stimulating effect on theoretical
investigations of molecular hyperpolarizabilities. 5 Extending the applicability of its methods …
reviews, 1 and textbooks. 2 In late years the emergence of powerful quantum chemical
methods with enhanced predictive capabilities made possible the accurate determination of
these properties for large classes of molecular systems. 3 The current experimental interest
in the nonlinear optics of small molecules4 is having a stimulating effect on theoretical
investigations of molecular hyperpolarizabilities. 5 Extending the applicability of its methods …
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