Cover Image, Volume 113, Issue 10
Article first published online: 3 APR 2013
Copyright © 2012 Wiley Periodicals, Inc.
International Journal of Quantum Chemistry
Volume 113, Issue 10, pages i–ii, 15 May 2013
How to Cite
(2013), Cover Image, Volume 113, Issue 10. Int. J. Quantum Chem., 113: i–ii. doi: 10.1002/qua.24445
- Issue published online: 3 APR 2013
- Article first published online: 3 APR 2013
- Cited By
The development of efficient algorithms for the translation of spherical harmonics is of paramount importance to improve the performance of computational programs for evaluation of molecular properties like the electrostatic potential and field, and the electrostatic energy. The article by Jaime Fernández Rico, Rafael López, Ignacio Ema, and Guillermo Ramírez on page 1544 reports one such development, introducing new general formulas for the translation of regular and irregular real spherical harmonics. As these formulas allow the efficient evaluation of the potential generated by sets of multipoles at a given point, they are especially beneficial for the calculation of large systems, such as macromolecules and molecular aggregates.