Methane Spectral Analysis.
Abstract
The vibration-rotation hamiltonian for cubic symmetry molecules was developed using an expansion in terms of angular momentum matrices. A computer program for ground state of the methane molecule was written which gave symmetries and values for the rotational levels. A perturbation theory was developed for the excited vibrational states based on spherical jellium molecule for the ground state. This perturbation was shown to give good convergence for the nearly degenerate v2, v4 vibrational levels in methane. Preliminary work on the development of computer programs for a calculation of the vibrational levels of molecules using LCAO x(alpha) calculations for the electronic structure was carried out. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Sep 30, 1980
- Accession Number
- ADA102300
Entities
People
- G. Dresselhaus
Organizations
- Massachusetts Institute of Technology