✦ LIBER ✦

Density functional theory investigation of the polarizability and second hyperpolarizability of polydiacetylene and polybutatriene chains: Treatment of exact exchange and role of correlation

✍ Scribed by Champagne, Benoı̂t; Bulat, Felipe A.; Yang, Weitao; Bonness, Sean; Kirtman, Bernard

Book ID: 120453597
Publisher: American Institute of Physics
Year: 2006
Tongue: English
Weight: 463 KB
Volume: 125
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.2388262

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Density-functional theory (hyper)polariz

Density-functional theory (hyper)polarizabilities of push-pull π-conjugated systems: Treatment of exact exchange and role of correlation

✍ Bulat, Felipe A.; Toro-Labbé, Alejandro; Champagne, Benoı̂t; Kirtman, Bernard; 📂 Article 📅 2005 🏛 American Institute of Physics 🌐 English ⚖ 281 KB

Assessing the performance of density fun

Assessing the performance of density functional theory for the dynamic polarizabilities of amino acids: Treatment of correlation and role of exact exchange

✍ Alipour, Mojtaba; Mohajeri, Afshan 📂 Article 📅 2013 🏛 John Wiley and Sons 🌐 English ⚖ 464 KB

Local density functional calculations of

Local density functional calculations of the polarizability and second-order hyperpolarizability of fullerene-C60

✍ Matsuzawa, Nobuyuki; Dixon, David A. 📂 Article 📅 1992 🏛 American Chemical Society 🌐 English ⚖ 576 KB

Polarizability and second hyperpolarizab

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

✍ Sekino, Hideo; Maeda, Yasuyuki; Kamiya, Muneaki; Hirao, Kimihiko 📂 Article 📅 2007 🏛 American Institute of Physics 🌐 English ⚖ 528 KB

Density functional calculations of the p

Density functional calculations of the polarizability and second-order hyperpolarizability of C_{50}Cl_{10}

✍ Yang, Yi; Wang, Fu-He; Zhou, Yun-Song; Yuan, Lanfeng; Yang, Jinlong 📂 Article 📅 2005 🏛 The American Physical Society 🌐 English ⚖ 247 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