ERIC Number: EJ1048328
Record Type: Journal
Publication Date: 2014-Dec
Abstractor: As Provided
Reference Count: 17
Gaussian-Type Orbitals versus Slater-Type Orbitals: A Comparison
Magalha~es, Alexandre L.
Journal of Chemical Education, v91 n12 p2124-2127 Dec 2014
The advantages of Gaussian-type orbitals (GTO) over Slater-type orbitals (STO) in quantum chemistry calculations are clarified here by means of a holistic approach. The popular Microsoft Office Excel program was used to create an interactive application with which students are able to explore the features of GTO, including automatic calculations and graphical displays. The simple case of the ground state wave function of the hydrogen atom is analyzed, for which the mathematical expressions are easily obtained by the students. The present work can be used also as a classroom guide for the particular topic of GTO, usually taught in introductory courses to atomic and molecular structure.
Descriptors: Holistic Approach, Quantum Mechanics, Chemistry, Computation, Computer Graphics, Knowledge Representation, Courseware, Molecular Structure, Introductory Courses, Mathematical Formulas, Teaching Methods, Undergraduate Students, Scientific Principles, Scientific Concepts
Division of Chemical Education, Inc and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail: firstname.lastname@example.org; Web site: http://pubs.acs.org/jchemeduc
Publication Type: Journal Articles; Reports - Evaluative
Education Level: Higher Education; Postsecondary Education
Authoring Institution: N/A