✦ LIBER ✦

Polarizability and second hyperpolarizability evaluation of long molecules by the density functional theory with long-range correction

✍ Scribed by Sekino, Hideo; Maeda, Yasuyuki; Kamiya, Muneaki; Hirao, Kimihiko

Book ID: 121689894
Publisher: American Institute of Physics
Year: 2007
Tongue: English
Weight: 528 KB
Volume: 126
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.2428291

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Long-range corrected density functional

Long-range corrected density functional theory study on static second hyperpolarizabilities of singlet diradical systems

✍ Kishi, Ryohei; Bonness, Sean; Yoneda, Kyohei; Takahashi, Hideaki; Nakano, Masayo 📂 Article 📅 2010 🏛 American Institute of Physics 🌐 English ⚖ 1016 KB

Tuned long-range corrected density funct

Tuned long-range corrected density functional theory method for evaluating the second hyperpolarizabilities of open-shell singlet metal–metal bonded systems

✍ Hitoshi Fukui; Yudai Inoue; Ryohei Kishi; Yasuteru Shigeta; Benoît Champagne; Ma 📂 Article 📅 2012 🏛 Elsevier Science 🌐 English ⚖ 376 KB

Simultaneous benchmarking of ground- and

Simultaneous benchmarking of ground- and excited-state properties with long-range-corrected density functional theory

✍ Rohrdanz, Mary A.; Herbert, John M. 📂 Article 📅 2008 🏛 American Institute of Physics 🌐 English ⚖ 471 KB

Calculation of electric dipole (hyper)po

Calculation of electric dipole (hyper)polarizabilities by long-range-correction scheme in density functional theory: A systematic assessment for polydiacetylene and polybutatriene oligomers

✍ Kirtman, Bernard; Bonness, Sean; Ramirez-Solis, Alejandro; Champagne, Benoit; Ma 📂 Article 📅 2008 🏛 American Institute of Physics 🌐 English ⚖ 417 KB