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Static polarizability of carbon nanotubes: ab initio independent-particle calculations

โœ Scribed by G.Y Guo; K.C Chu; Ding-sheng Wang; Chun-gang Duan

Book ID
116374162
Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
244 KB
Volume
30
Category
Article
ISSN
0927-0256

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๐Ÿ“œ SIMILAR VOLUMES

Ab initio molecular orbital calculations
Ab initio molecular orbital calculations of the static polarizabilities of xanthone analogues
โœ Takushi Sugino; Nobuaki Kambe; Noboru Sonoda; Toru Sakaguchi; Koji Ohta ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 454 KB

The static polarizabilities, or, of various xanthone analogues (1-19) were estimated by ab initio molecular orbital calculations using the coupled perturbed Hartree-Fock (CPHF) method. The influence of basis sets on the calculated values was examined in detail and the reliability of the ECP approach