| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374360 | Chemical Physics | 2012 | 11 Pages |
Abstract
⺠Laplace errors for 0-0 transition energies and excited state structures are small. ⺠Timings for ground and excited state gradient calculations are reported. ⺠Applications to a chlorophyll and a bis(terpyridine) with 160 atoms are presented.
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Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Nina O.C. Winter, Christof Hättig,