Session: New Electronic Structure Methods: From Molecules to Materials


PHYS		Tuesday, March 25, 2003

8:30 AM-12:10 PM Convention Center -- Room 283,Oral
New Electronic Structure Methods: From Molecules to Materials
Many-Body Theory
Presiding:	Angela K. Wilson
Organizers:	Martin P. Head-Gordon Emily A. Carter
8:30 AM	138	New alternatives for accurate electronic-structure calculations of molecular potential energy surfaces Piotr Piecuch, Karol Kowalski, Ian S.O. Pimienta, Peng-Dong Fan
9:10 AM	139	Advanced electronic structure methods and redundant localized orbitals Marcel Nooijen, Alexander Auer
9:50 AM	140	Occupation restricted multiple active space-CI/SCF Joseph Ivanic
10:10 AM	141	Analytic energy gradients for GVVPT2 multireference perturbation theory Timothy J. Dudley, Yuriy G. Khait, Mark R. Hoffmann
10:30 AM		Intermission
10:50 AM	142	Breaking the curse of the nondynamical correlation problem: The spin-flip method applied to diradicals and triradicals Anna I. Krylov, Lyudmila V. Slipchenko
11:30 AM	143	Fast local active space coupled cluster approximations Gregory J. O. Beran, Martin Head-Gordon
11:50 AM	144	Local correlation in the virtual space in multireference configuration interaction Arun Venkatnathan, Derek Walter, Emily A Carter

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