✦ LIBER ✦

Non-empirical tuning of CAM-B3LYP functional in time-dependent density functional theory for excitation energies of diarylethene derivatives

✍ Scribed by Okuno, Katsuki; Shigeta, Yasuteru; Kishi, Ryohei; Nakano, Masayoshi

Book ID: 122791338
Publisher: Elsevier Science
Year: 2013
Tongue: English
Weight: 908 KB
Volume: 585
Category: Article
ISSN: 0009-2614
DOI: 10.1016/j.cplett.2013.09.013

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Tuned CAM-B3LYP functional in the time-d

Tuned CAM-B3LYP functional in the time-dependent density functional theory scheme for excitation energies and properties of diarylethene derivatives

✍ Katsuki Okuno; Yasuteru Shigeta; Ryohei Kishi; Hiroshi Miyasaka; Masayoshi Nakan 📂 Article 📅 2012 🏛 Elsevier Science 🌐 English ⚖ 597 KB

Assessment of the Van Voorhis–Scuseria e

Assessment of the Van Voorhis–Scuseria exchange–correlation functional for predicting excitation energies using time-dependent density functional theory

✍ Juanita Jaramillo; Gustavo E. Scuseria 📂 Article 📅 2000 🏛 Springer 🌐 English ⚖ 108 KB

Time-dependent four-component relativist

Time-dependent four-component relativistic density-functional theory for excitation energies. II. The exchange-correlation kernel

✍ Gao, Jun; Zou, Wenli; Liu, Wenjian; Xiao, Yunlong; Peng, Daoling; Song, Bo; Liu, 📂 Article 📅 2005 🏛 American Institute of Physics 🌐 English ⚖ 887 KB

Assessment of time-dependent density fun

Assessment of time-dependent density functional theory for predicting excitation energies of bichromophoric peptides: case of tryptophan-phenylalanine

✍ Rodolphe Pollet; Valérie Brenner 📂 Article 📅 2008 🏛 Springer 🌐 English ⚖ 239 KB

An efficient implementation of time-depe

An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules

✍ Stratmann, R. Eric; Scuseria, Gustavo E.; Frisch, Michael J. 📂 Article 📅 1998 🏛 American Institute of Physics 🌐 English ⚖ 372 KB

Excitation Energies of Zinc Porphyrin in

Excitation Energies of Zinc Porphyrin in Aqueous Solution Using Long-Range Corrected Time-Dependent Density Functional Theory

✍ Govind, Niranjan; Valiev, Marat; Jensen, Lasse; Kowalski, Karol 📂 Article 📅 2009 🏛 American Chemical Society 🌐 English ⚖ 526 KB