Cover Image, Volume 114, Issue 11
Article first published online: 17 APR 2014
Copyright © 2014 Wiley Periodicals, Inc.
International Journal of Quantum Chemistry
Volume 114, Issue 11, pages i–ii, 5 June 2014
How to Cite
(2014), Cover Image, Volume 114, Issue 11. Int. J. Quantum Chem., 114: i–ii. doi: 10.1002/qua.24683
- Issue published online: 17 APR 2014
- Article first published online: 17 APR 2014
- Cited By
The development of new materials with exceptional nonlinear optical properties plays a key role for present-day electronic technology. The improvement of quantum-chemical approaches for the prediction of such properties as static and dynamic first and second hyperpolarizabilities has both practical and fundamental interest. On page 689 (DOI: 10.1002/qua.24617), Vladimir Rossikhin, Eugene Voronkov, Sergiy Okovytyy, Tetiana Sergeieva, Karina Kapusta, and Jerzy Leszczynski propose an efficient procedure for the construction of physically rationalized Slater-type basis sets for calculations of dynamic hyperpolarizability. Augmentation of minimal STO-3G basis sets by first- and second-order correction functions yields cost-effective STO##(II)-3Gel basis sets, which, at the DFT level, display better performance than well-known Gaussian-type basis sets.