The applications and development of multiconfigurational electron propagator methods to the study of molecular properties /

With single particle Green's function (or electron propagator) methods vertical ionization potentials (IPs) and electron affinities (EAs) are obtained directly rather than by separately determining the total electronic energies of the neutral and ions and subtracting to obtain energy difference...

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Bibliographic Details

Main Author:	Heryadi, Dodi, 1970-
Format:	Thesis Book
Language:	English
Published:	[Place of publication not identified] : [publisher not identified] ; 2000.
Subjects:	Major chemistry.
Online Access:	http://proxy.library.tamu.edu/login?url=http://proquest.umi.com/pqdweb?did=727726251&sid=1&Fmt=2&clientId=2945&RQT=309&VName=PQD