Session: New Electronic Structure Methods: From Molecules to Materials


PHYS		Monday, March 24, 2003

8:30 AM-12:10 PM Convention Center -- Room 284,Oral
New Electronic Structure Methods: From Molecules to Materials
Molecular Problems
Presiding:	Vitaly A Rassolov
Organizers:	Martin P. Head-Gordon Emily A. Carter
8:30 AM	69	Electron correlation methodology from a basis set perspective Angela K. Wilson
9:10 AM	70	Assessing the performance of quantum chemical methods for bond breaking C. David Sherrill
9:50 AM	71	How diradicaloid is a stable diradical? Yousung Jung, Martin Head-Gordon
10:10 AM	72	Parallel analytic gradient implementation for open-shell perturbation theory using the distributed data interface Christine M. Aikens, Mark S. Gordon
10:30 AM		Intermission
10:50 AM	73	The computation of chiroptical properties by time-dependent density functional theory Tom Ziegler, Jochen Autschbach
11:30 AM	74	Predicted energetics, kinetics, and dynamics of dimethyl ether's low-temperature autoignition Amity Andersen, Emily A. Carter
11:50 AM	75	Electronically excited states of CH₂Cl: Rydberg-valence interactions and their effect on photodissociation yield Sergey V. Levchenko, Anna I. Krylov

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