An expression ior the transition matrix element between excited states is given in terms of the solutions to the time-dependent Ha-tree-Fock eigenvalue ditierendal equations. Some dipc4e oscillator saengths and transirioo moments are evaluated for members of the helium isoelectronic sequence.
✦ LIBER ✦
Configuration interaction singles, time-dependent Hartree–Fock, and time-dependent density functional theory for the electronic excited states of extended systems
✍ Scribed by Hirata, So; Head-Gordon, Martin; Bartlett, Rodney J.
- Book ID
- 118034677
- Publisher
- American Institute of Physics
- Year
- 1999
- Tongue
- English
- Weight
- 363 KB
- Volume
- 111
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.480443
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## Abstract Dressed Time‐Dependent 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__~_