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  Home > JCE Print > Journal of Chemical Education > Issues > 2006  > March  >
Research: Science and Education
The Configuration Interaction Expansion Is the Exact Solution of the Electronic Schrödinger Equation
José A. Sordo
Laboratorio de Química Computacional, Departamento de Química Física y Analítica, Facultad de Química, Universidad de Oviedo, 33006 Oviedo, Principado de Asturias, Spain
Cover
March 2006
Vol. 83 No. 3
p. 480
Abstract
It is demonstrated that the configuration interaction method provides the exact solution of the time-independent Schrödinger equation within Born–Oppenheimer approximation and neglecting relativistic effects.
Supplement
The mathematical derivation for the configuration interaction method is available.
*  Contents JCE2006p0480W.doc (Microsoft Word)
*  Download
JCE2006p0480W.pdf

JCE2006p0480W.zip
More Information
*  Citation
 Sordo, José A. J. Chem. Educ. 2006 83 480.
*  Keywords
 Computational Chemistry; Graduate Education / Research; MO Theory; Physical Chemistry; Quantum Chemistry; Textbooks / Reference Books; Theoretical Chemistry; Upper-Division Undergraduate
*  History
 Created:
Last Updated:		 1/31/2006
2/9/2006
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