We document recent improvements in the efficiency of our implementation in the Amsterdam Density Functional program (ADF) of the response equations in time-dependent density functional theory (TDDFT). Applications to quasi one-dimensional polyene chains and to three-dimensional water clusters show t
✦ LIBER ✦
Substantial Errors from Time-Dependent Density Functional Theory for the Calculation of Excited States of Large π Systems
✍ Scribed by Stefan Grimme; Maja Parac
- Publisher
- John Wiley and Sons
- Year
- 2003
- Tongue
- English
- Weight
- 94 KB
- Volume
- 4
- Category
- Article
- ISSN
- 1439-4235
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