Chem 131A. Lec 25. Quantum Principles: Optimizing H2+ Molecular Orbital, H2, & Config Interaction (English)


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UCI Chem 131A Quantum Principles (Winter 2013)
Lec 25. Quantum Principles -- Optimizing H2+ Molecular Orbital, H2, & Config Interaction  --
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 17, 2014.


Index of Topics:
1:07 Where We Were
3:28 Polarization
12:33 H2
15:50 Molecular Orbitals for H2
18:24 The Potential Energy Curve
20:19 The LCAO-MO Problem
27:01 The Asymptotic Value
28:14 The Asymptotic Energy
30:29 Problem Explained
31:50 The Valence Bond Approach
33:51 Optimizing Our Wavefunction
35:16 Problem Solved
40:28 Wrapping Up H2
41:50 A Qualitative Picture
45:53 Bond Order
47:28 Comparing H2+ Through He2


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.

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