The Variation Theorem Applied to H-2+: A Simple Quantum Chemistry Computer Project.

Robiette, Alan G.

Notes FAQ Contact Us

Back to results

Peer reviewed

ERIC Number: EJ121325

Record Type: CIJE

Publication Date: 1975

Pages: N/A

Abstractor: N/A

ISBN: N/A

ISSN: N/A

EISSN: N/A

The Variation Theorem Applied to H-2+: A Simple Quantum Chemistry Computer Project

Robiette, Alan G.

Journal of Chemical Education, 52, 2, 95-96, Feb 75

Describes a student project which requires limited knowledge of Fortran and only minimal computing resources. The results illustrate such important principles of quantum mechanics as the variation theorem and the virial theorem. Presents sample calculations and the subprogram for energy calculations. (GS)

Descriptors: Chemistry, College Science, Computer Assisted Instruction, Computer Programs, Higher Education, Instruction, Molecular Structure, Quantum Mechanics, Science Education, Student Projects

Publication Type: N/A

Education Level: N/A

Audience: N/A

Language: N/A

Sponsor: N/A

Authoring Institution: N/A

Grant or Contract Numbers: N/A