## Lec 25. Optimizing H2+ Molecular Orbital, H2, &amp;amp;amp;amp;amp;amp;amp; Config Interaction

#### Lec 25. Quantum Principles -- Optimizing H2+ Molecular Orbital, H2, & Config Interaction --

Instructor: A.J. Shaka, Ph.D

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

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