Real Molecular Orbitals
Marek Haruza
Dr. Mohammad Samiullah, Faculty Mentor

All current methods of determining molecular orbitals are based on linear combinations of atomic orbitals. We propose a method of determining the electronic structure of molecules based on exact solutions of the Schroedinger equation for the single electron case with additional electrons introduced by the Aufbau principle. For instance, we predict the electronic structure of the hydrogen molecule based on the exact wave functions of the hydrogen molecular ion.

Keywords: hydrogen, orbital, wave function, spheroidal, electron, molecular

Topic(s):Physics

Presentation Type: Oral Paper

Session: 9-1
Location: VH 1412
Time: 8:15

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