Chem 131A. Lec 24. Quantum Principles: Molecular Orbital: The Virial Theorem in Action (English)


Share on Facebook Share on Twitter

UCI Chem 131A Quantum Principles (Winter 2013)
Lec 24. Quantum Principles --Molecular Orbital: The Virial Theorem in Action  --
View the complete course: http://ocw.uci.edu/courses/chem_131a_quantum_principles.html
Instructor: A.J. Shaka, Ph.D

License: Creative Commons BY-NC-SA
Terms of Use: http://ocw.uci.edu/info.
More courses at http://ocw.uci.edu

Description: This course provides an introduction to quantum mechanics and principles of quantum chemistry with applications to nuclear motions and the electronic structure of the hydrogen atom. It also examines the Schrödinger equation and study how it describes the behavior of very light particles, the quantum description of rotating and vibrating molecules is compared to the classical description, and the quantum description of the electronic structure of atoms is studied.

Recorded on March 06, 2014.


Index of Topics:
1:11 Comparing the Results
4:04 H2+ Molecular Orbitals
5:32 The Coefficients
6:58 Normalization
9:00 The Orbitals Are Different
14:22 The Virial Theorem
18:43 Practice Problem 29
28:27 Checking Our MO
34:15 Making a Long Story Short
37:01 Optimizing the Energy
40:57 What Does It Mean?
42:22 What Functions Will Improve Things?


Required attribution: Shaka, A.J. Quantum Principles 131A (UCI OpenCourseWare: University of California, Irvine),  http://ocw.uci.edu/courses/chem_131a_quantum_principles.html. [Access date]. License: Creative Commons Attribution-ShareAlike 3.0 United States License.


Author:
A.J. Shaka
Title:
Professor
Department:
Chemistry

Creative Commons License
Chem 131A: Quantum Principles by Athan J. Shaka, Ph.D. is licensed under a Creative Commons Attribution-ShareAlike 3.0 Unported License.

Provide a Testimonial