| Title: | Polarizability of molecular chains: A self-interaction correction approach.
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| Authors: | Chaitanya Das Pemmaraju, S. Sanvito, and K. Burke., 2008 |
| Abstract: | Standard density functional approximations greatly overestimate the static polarizability of long-chain polymers, but Hartree-Fock or exact exchange calculations do not. We show that simple self-interaction corrected approximations afford a viable alternative for accurate polarizability calculations within density functional theory. |
| ICHEC Project: | SPIN-ORBIT COUPLING IN MOLECULAR CHAINS, HETEROSTRUCTURES AND POINT CONTACTS |
| Publication: | Phys. Rev. B, 77, 121204(R), (2008). |
| URL: | http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=PRBMDO000077000012121204000001&idtype=cvips&gifs=yes |
| Keywords: | density functional theory |
| Status: | Published |
