Session: Iterative Methods in Quantum Mechanics and Applications to Chemical Problems


PHYS		Sunday, March 23, 2003

1:30 PM-5:10 PM Convention Center -- Room 283,Oral
Iterative Methods in Quantum Mechanics and Applications to Chemical Problems
Electronic Structure
Presiding:	Ward H. Thompson
Organizers:	Hua Guo Stephen K. Gray
1:30 PM	32	Applications of the SPAM iterative diagonalization method Ron Shepard, Albert F. Wagner, Michael Minkoff, Yunkai Zhou
2:10 PM	33	Iterative optimization approach to the calculation of orbital functionals in density functional theory Weitao Yang, Qin Wu
2:50 PM	34	Large-scale multigrid simulations of novel materials and nanoscale devices Jerry Bernholc
3:30 PM		Intermission
3:50 PM	35	Efficient multiscale methods for solving the Kohn-Sham equations in real space Nimal Wijesekera, Guogang Feng, Thomas L. Beck
4:30 PM	36	Multiresolution solution of an integral formulation of density functional theory Robert J. Harrison
4:50 PM	37	Ab initio linear scaling electronic structure Roi Baer, Martin Head-Gordon, Chandra Saravanan, Wan Zhen Liang

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