Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9591790 | Journal of Molecular Structure: THEOCHEM | 2005 | 18 Pages |
Abstract
The restricted Hartree-Fock (RHF) methods were used for calculation of the hyperpolarizability for each ion. For comparison, analogous calculations were carried out for the closed-shell neutral melamine. The theoretical results can be used in design of new molecular compounds with nonlinear optical properties.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
M. Drozd, M.K. Marchewka,