A relativistic time-dependent density functional study of the excited states of the mercury dimer
β Scribed by Kullie, Ossama
- Book ID
- 121799405
- Publisher
- American Institute of Physics
- Year
- 2014
- Tongue
- English
- Weight
- 729 KB
- Volume
- 140
- Category
- Article
- ISSN
- 0021-9606
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π SIMILAR VOLUMES
## Abstract A large number of scalar as well as spinor excited states of OsO~4~, in the experimentally accessible energy range of 3β11 eV, have been captured by timeβdependent relativistic density functional linear response theory based on an exact twoβcomponent Hamiltonian resulting from the symme
## Abstract Dressed TimeβDependent Density Functional Theory (Maitra et al., J Chem Phys 2004, 120, 5932) is applied to selected linear polyenes. Limits of validity of the approximation are briefly discussed. The implementation strategy is described. Results for the 2^1^__B__~__u__~ and 2^1^__A__~_