Self-Consistent Field Calculations Spreadsheet

Gary G. Hoffman
Department of Chemistry and Biochemistry, Elizabethtown College, Elizabethtown, PA 17022
J. Chem. Educ., 2005, 82 (9), p 1423
DOI: 10.1021/ed082p1423.2
Publication Date (Web): September 1, 2005

Abstract

A Self-Consistent Field Calculations Spreadsheet can help your students understand the self-consistent field (SCF) procedure, typically presented in an undergraduate physical chemistry course. The spreadsheet helps students easily perform SCF calculations on a two-electron atom and see graphically how the proper solution is obtained.

Keywords (Audience):

Upper-Division Undergraduate

Keywords (Domain):

Physical Chemistry

Keywords (Feature):

JCE WebWare: Web-Based Learning Aids

Keywords (Pedagogy):

Computer-Based Learning

Keywords (Subject):

Atomic Properties / Structure
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History

  • Received: August 03, 2009

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