Born-Oppenheimer Expansion for Diatomic Molecules with Large Angular Momentum

Semiclassical and Born-Oppenheimer approximations are used to provide uniform error bounds for the energies of diatomic molecules for bounded vibrational quantum number n and large angular momentum quantum number l. Specifically, results are given when (l + 1) < κ𝛜⁻³/². Explicit formulas for the approximate energies are also given. Numerical comparisons for the H+₂ and HD+ molecules are presented.

Name thesis:degree_name

Ph. D.

Level thesis:degree_level

doctoral

Discipline thesis:degree_discipline

Mathematics

Department dc:contributor.department

Mathematics

Grantor dc:publisher

Virginia Tech

Year dc:date.issued

2007

Author dc:creator

• Hughes, Sharon Marie

Chair dc:contributor.committeechair

• Hagedorn, George A.

Committee members dc:contributor.committeemember

• Klaus, Martin
• Haskell, Peter E.
• Schmittmann, Beate

• Born-Oppenheimer Approximation
• Semiclassical Approximation
• Diatomic Molecules

Statement dc:rights

• In Copyright

Licence dc:rights.uri

• http://rightsstatements.org/vocab/InC/1.0/

Dc Identifier Other

etd-11012007-130745

OAI identifier oai:identifier

oai:vtechworks.lib.vt.edu:10919/29423