The status of theoretical calculations on polymers is illustrated by two specific problems. The first one is the interpretation of ESCA results on polymers by suitable ab initio calculations. The second problem is the very timely one of bond alternation in polymers. The reliability of theoretical calculations at various levels and the possible central role of electron correlation are discussed.
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Physical and Theoretical Chemistry