𝔖 Bobbio Scriptorium
✦   LIBER   ✦

State-of-the-art density matrix renormalization group and coupled cluster theory studies of the nitrogen binding curve

✍ Scribed by Chan, Garnet Kin-Lic; Kállay, Mihály; Gauss, Jürgen


Book ID
115313486
Publisher
American Institute of Physics
Year
2004
Tongue
English
Weight
338 KB
Volume
121
Category
Article
ISSN
0021-9606

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