PHY.K02UF Molecular and Solid State Physics


Molecules are treated similarly to atoms. First the energy eigenstates for one electron moving in a potential of fixed positive nuclei are found. These solutions are called the molecular orbitals. An approximation of the multi-electron wavefunction for any molecule can be constructed from an antisymmetrized product of molecular orbitals. Any property of a molecule can be calculated from the multi-electron wavefunction.

Read the notes on molecules that are linked in the outline.

Molecular Spectral Databases (NIST)
NIST Computational Chemistry Comparison and Benchmark DataBase (CCCBDB)