Time-dependent Hartree-Fock theory is used to calculate frequency-dependent polarizability derivatives for H2 adsorbed on a model lithium cluster. The results indicate large enhancements in Raman intensity when H2 is close to its equilibrium adsorption distance.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Condensed Matter Physics
- Atomic and Molecular Physics, and Optics
- Surfaces and Interfaces