✦ LIBER ✦

All-electrons band structure of polyethylene in the nearest cell approximation

✍ Scribed by J.-M. André; G. Leroy

Publisher: Elsevier Science
Year: 1970
Tongue: English
Weight: 277 KB
Volume: 5
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(70)80004-5

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A MNDO study of the electronic band stru

A MNDO study of the electronic band structure of polyethylene

✍ Michael J.S. Dewar; Yukio Yamaguchi; Sung Ho Suck 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 232 KB

The electronic band structure of polyctl~ylcnc II.I\ been c.llcul.ltccl u\m:\* the ti::ht-bmtim, 11 LCAO hI0 n~~~lro\llI1:1~1011 togcthcr with J rcccntly dcvclopcd SW hfO proccduw (AINDO). 'rlw ~akulatcrl band struc,turc .lgrccs mucl~ better wtll .I recent itb initlo dculation than tbosc from prwiou

Study of the electronic energy band stru

Study of the electronic energy band structure of polyethylene using MINDO/3

✍ Michael J.S. Dewar; Sung Ho Suck; Paul K. Weiner 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 239 KB

Band structure of electronic circular di

Band structure of electronic circular dichroism spectra and the born-oppenheimer approximation

✍ T. G. Dewey 📂 Article 📅 1983 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 446 KB 👁 2 views

## Abstract Theory is presented for determining the effects of band structure on electronic CD spectra. In this development, the effect of the first‐order correction to the Born‐Oppenheimer approximation is considered. This removes the unrealistic feature of identical CD and absorbance spectral ban

d-Band structure of iron telluride in th

d-Band structure of iron telluride in the tight-binding approximation

✍ P. Manca; G. Mula 📂 Article 📅 1969 🏛 Elsevier Science 🌐 English ⚖ 196 KB

Effects of electron–electron interaction

Effects of electron–electron interaction on the band structure in polydiacetylenes

✍ H.-F. Hu; K. L. Yao 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 128 KB 👁 3 views

The ground-state band structure of polydiacetylenes is theoretically studied with the extensional Su-Schriffer-Heeger model supplemented by electron-electron interactions. The results show the following. First, the interval of valence bands (conduction bands) increases because of the electron-electr

The electronic structures of biradicals

The electronic structures of biradicals in the unrestricted Hartree-Fock approximation

✍ Kizashi Yamaguchi 📂 Article 📅 1975 🏛 Elsevier Science 🌐 English ⚖ 523 KB

The electronic structures of bi.rsdica!s are investigated by the unrestricted h'~trec-Fock (UHF) method and explained in terms of spin density wave (SDW) orbitals. The blrodiclii characters arc calculated by the USC of the occupation numbers of ?hl: natural orbit& in the SDW configuration. The resul