Date Thesis Awarded
5-2008
Access Type
Honors Thesis -- Open Access
Degree Name
Bachelors of Science (BS)
Department
Chemistry
Advisor
Stephen K. Knudson
Committee Members
Christopher J. Abelt
Joshua Erlich
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. William & Mary. 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.