LINEAR SCALING DENSITY FUNCTIONAL METHODS FOR EXCITATION ENERGIES AND VIBRATIONAL FREQUENCIES OF LARGE MOLECULES
Creators:Scuseria, Gustavo E.
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Publisher:Ohio State University
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.
Author Institution: Chemistry Department, Rice University
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