LINEAR SCALING DENSITY FUNCTIONAL METHODS FOR EXCITATION ENERGIES AND VIBRATIONAL FREQUENCIES OF LARGE MOLECULES

dc.creator	Scuseria, Gustavo E.	en_US
dc.date.accessioned	2006-06-15T19:04:18Z
dc.date.available	2006-06-15T19:04:18Z
dc.date.issued	1998	en_US
dc.identifier	1998-RG-01	en_US
dc.identifier.uri	http://hdl.handle.net/1811/18931
dc.description	Author Institution: Chemistry Department, Rice University	en_US
dc.description.abstract	This presentation will address recent advances in electronic structure methods for large molecules. The focus will be on linear scaling density functional theory (DFT) methods. Methodological developments will be discussed and applications to excitation energies and vibrational frequencies of large molecules will be presented.	en_US
dc.format.extent	58253 bytes
dc.format.mimetype	image/jpeg
dc.language.iso	English	en_US
dc.publisher	Ohio State University	en_US
dc.title	LINEAR SCALING DENSITY FUNCTIONAL METHODS FOR EXCITATION ENERGIES AND VIBRATIONAL FREQUENCIES OF LARGE MOLECULES	en_US
dc.type	article	en_US