Ítem
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Kirtman, Bernard
Luis Luis, Josep Maria Bishop, David M. |
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| 1998 | |
| In the static field limit, the vibrational hyperpolarizability consists of two contributions due to: (1) the shift in the equilibrium geometry (known as nuclear relaxation), and (2) the change in the shape of the potential energy surface (known as curvature). Simple finite field methods have previously been developed for evaluating these static field contributions and also for determining the effect of nuclear relaxation on dynamic vibrational hyperpolarizabilities in the infinite frequency approximation. In this paper the finite field approach is extended to include, within the infinite frequency approximation, the effect of curvature on the major dynamic nonlinear optical processes | |
| application/pdf | |
| Kirtman, B., Luis, J.M., i Bishop, D.M. (1998). Simple finite field method for calculation of static and dynamic vibrational hyperpolarizabilities: curvature contributions. Journal of Chemical Physics, 108 (24), 10008-10012. Recuperat 24 març 2011, a http://link.aip.org/link/doi/10.1063/1.476460 | |
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0021-9606 (versió paper) 1089-7690 (versió electrònica) |
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| http://hdl.handle.net/10256/3274 | |
| eng | |
| American Institute of Physics | |
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Reproducció digital del document publicat a: http://dx.doi.org/10.1063/1.476460 Articles publicats (D-Q) |
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| © Journal of Chemical Physics, 1998, vol. 108, núm. 24, p. 10008-10012 | |
| Tots els drets reservats | |
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Dinàmica molecular
Relaxació, Fenòmens de Òptica no lineal Polarització (Física nuclear) Molecular dynamics Nonlinear optics Polarization (Nuclear physics) Relaxation phenomena |
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| Simple finite field method for calculation of static and dynamic vibrational hyperpolarizabilities: curvature contributions | |
| info:eu-repo/semantics/article | |
| DUGiDocs |
