Abstract
The results of recent investigations on the potentialities of the Genkin-Mednis approach for calculating the electric polarizability of infinite stereoregular polymers at the ab initio level are reported. The working expressions are deduced and some of the computation implications are exemplified with results obtained in two study cases: the infinite chain of hydrogen molecules and trarns-polyacetylene.
| Original language | English |
|---|---|
| Pages (from-to) | 299-312 |
| Number of pages | 14 |
| Journal | Journal of Molecular Structure: THEOCHEM |
| Volume | 188 |
| Issue number | 3-4 |
| DOIs | |
| Publication status | Published - 1989 |