Effects of local fields in time-dependent density functional theory shown in oxidized silicon clusters
✍ Scribed by Gatti, Matteo; Onida, Giovanni
- Book ID
- 111680965
- Publisher
- The American Physical Society
- Year
- 2005
- Tongue
- English
- Weight
- 633 KB
- Volume
- 72
- Category
- Article
- ISSN
- 1098-0121
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## Abstract The time‐dependent density functional theory (TDDFT) method has been carried out to investigate the excited‐state hydrogen‐bonding dynamics of 4‐aminophthalimide (4AP) in hydrogen‐donating water solvent. The infrared spectra of the hydrogen‐bonded solute−solvent complexes in electronica
Time-dependent density functional theory (TD-DFT) and single-excitation configuration interaction (CIS) calculations on the electronic excitations in pyrrole have been performed to examine the reliability of these first-principles electronic structure methods in predicting electronic excitation spec
We present a time-dependent density-functional theory TDDFT with ## Ž . Ž . optimized effective potential OEP and self-interaction correction SIC for nonperturbative treatment of multiphoton and nonlinear optical processes of manyelectron systems in intense laser fields. The resulting TDOEPrKLI-SI