Date Thesis Awarded
5-2008
Document Type
Honors Thesis
Degree Name
Bachelors of Science (BS)
Department
Chemistry
Advisor
Stephen K. Knudson
Committee Member
Christopher J. Abelt
Committee Member
Joshua Erlich
Committee Member
John C. Poutsma
Abstract
One electron densities are a convenient way to study the behavior of a single electron in a multi-electron compound. The critical points within those densities can be investigated in order to deduce information about bonding and the character of a given electronic state. The system under investigation here is molecular hydrogen (H2). The one electron densities and subsequent critical points will be studied for the first three 1Σ+g electronic states. The results of those calculations will be presented and discussed. These results should give insight into how the orbital character of each electronic state might change over a given range of internuclear distances.
Recommended Citation
Bates, Jefferson, "Molecular Hydrogen: A theoretical investigation into the one electron densities of the first three 1Σ+g states" (2008). Undergraduate Honors Theses. Paper 795.
https://scholarworks.wm.edu/honorstheses/795
Creative Commons License
This work is licensed under a Creative Commons Attribution-Noncommercial-No Derivative Works 3.0 License.
Comments
Thesis is part of Honors ETD pilot project, 2008-2013. Migrated from Dspace in 2016.