𝔖 Bobbio Scriptorium
✦   LIBER   ✦

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


Time-dependent density functional theory
✍ Rui Wang; Ce Hao; Peng Li; Ning-Ning Wei; Jingwen Chen; Jieshan Qiu 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 502 KB

## 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

Electronic Excitations in Pyrrole: A Tes
✍ Chang-Guo Zhan; David A. Dixon 📂 Article 📅 2002 🏛 Elsevier Science 🌐 English ⚖ 168 KB

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

Time-dependent density-functional theory
✍ Xiao-Min Tong; Shih-I Chu 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 263 KB 👁 2 views

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