Applications of Single Reference Methods to Multi-Reference Problems Page: III
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List of Figures
1. Jacobs Ladder............................................................................................12
2. Graph of Relative Energy vs. Torsional Angle in Ethylene Torsion...........................24
3. Ethylene Torsion Pathway Showcasing Degeneracy.............................................24
4. Automerization of Cyclobutadiene...................................................................25
5. Graph of BLYP Functional for Optimal HF Exchange Percentage Compared to LYP
Correlation Percentage...........................................................................26
6. Insertion of Beryllium into Hydrogen...............................................................27
7. Relative Energies vs. Ratio of C-C Bond Lengths for Automerization of Cyclobutadiene
for Various Methods..............................................................................31
8. Relative Energies vs. Separation of H2 from Be for Various Methods........................32
9.revs. rg......................................................................................................44
10. Bond Lengths as a Function of Different Methods..............................................47III
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Jeffrey, Chris C. Applications of Single Reference Methods to Multi-Reference Problems, thesis, May 2015; Denton, Texas. (https://digital.library.unt.edu/ark:/67531/metadc801919/m1/4/: accessed April 25, 2024), University of North Texas Libraries, UNT Digital Library, https://digital.library.unt.edu; .