| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5389753 | Chemical Physics Letters | 2006 | 6 Pages |
Abstract
Plots of the zz-component of dynamic polarizability obtained by the linear response method with 6-31Gââ basis set for the linear Si24H50 molecule. Unit in a.u. The number of fragments in FMO calculations is denoted with sharp sign. As long as the fragmentation size is proper, the error is kept small even for nonzero frequencies.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Takeshi Ishikawa, Yuji Mochizuki, Kenji Imamura, Tatsuya Nakano, Hirotoshi Mori, Hiroaki Tokiwa, Kiyoshi Tanaka, Eisaku Miyoshi, Shigenori Tanaka,