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
J. Chem. Educ., 2006, 83 (3), p 480
DOI: 10.1021/ed083p480
Publication Date (Web): March 1, 2006

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.

Keywords (Audience):

Graduate Education / Research

Keywords (Domain):

Physical Chemistry

Keywords (Feature):

Research: Science and Education

Keywords (Pedagogy):

Textbooks / Reference Books

Keywords (Subject):

Computational Chemistry

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History

  • Received: August 03, 2009

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