Geometry Optimization of Crystals by the Quasi-Independent Curvilinear Coordinate Approximation

Karoly Nemeth, Matt Challacombe

The quasi-independent curvilinear coordinate approximation (QUICCA) method [K. Németh and M. Challacombe, J. Chem. Phys. {\bf 121}, 2877, (2004)] is extended to the optimization of…