Time-dependent density-functional theory for molecules and molecular solids.
A review. Time-dependent d.-functional theory (TDDFT) has become a well-established part of the modern theor. chemist's toolbox for treating electronic excited states. Yet, though applications of TDDFT abound in quantum chem., review articles specifically focusing on TDDFT for chem. applications are relatively rare. This article helps to fill the void by first giving a historical review of TDDFT, with emphasis on mol. excitations and aspects of TDDFT which are important for quantum chem. applications, followed by a discussion of some modern evolutions with emphasis on the articles in this vol., and ending with a few thoughts about the future of TDDFT. [on SciFinder(R)]
Références
- Titre
- Time-dependent density-functional theory for molecules and molecular solids.
- Type de publication
- Article de revue
- Année de publication
- 2009
- Auteurs
- Casida, Mark E.
- Revue
- J. Mol. Struct. THEOCHEM
- Volume
- 914
- Pagination
- 3–18
- ISSN
- 0166-1280
Soumis le 12 avril 2018