Abstract
The Hartree-Fock-Ruthane method with the Roos-Siegbahn two-exponent basis is used to calculate stability, geometrical and electronic structures of (BeHsub(2))sub(n) oligomers, where n=1, 2, 3, 4 and 6. It is shown that with the growth of oligomerization degree n stability of linear band structure is increased as compared with other configurations including high-coordination volumetric ones. Tendencies in formation with n growth of geometrical, energetic characteristics, electronic structure of (BeHsub(2))sub(n) oligomers of band type are analysed.
Citation Formats
Sukhanov, L P, Boldyrev, A I, and Charkin, O P.
Theoretical study of stability geometrical and electronic structure of (BeHsub(2))sub(n) oligomers.
USSR: N. p.,
1983.
Web.
Sukhanov, L P, Boldyrev, A I, & Charkin, O P.
Theoretical study of stability geometrical and electronic structure of (BeHsub(2))sub(n) oligomers.
USSR.
Sukhanov, L P, Boldyrev, A I, and Charkin, O P.
1983.
"Theoretical study of stability geometrical and electronic structure of (BeHsub(2))sub(n) oligomers."
USSR.
@misc{etde_5039706,
title = {Theoretical study of stability geometrical and electronic structure of (BeHsub(2))sub(n) oligomers}
author = {Sukhanov, L P, Boldyrev, A I, and Charkin, O P}
abstractNote = {The Hartree-Fock-Ruthane method with the Roos-Siegbahn two-exponent basis is used to calculate stability, geometrical and electronic structures of (BeHsub(2))sub(n) oligomers, where n=1, 2, 3, 4 and 6. It is shown that with the growth of oligomerization degree n stability of linear band structure is increased as compared with other configurations including high-coordination volumetric ones. Tendencies in formation with n growth of geometrical, energetic characteristics, electronic structure of (BeHsub(2))sub(n) oligomers of band type are analysed.}
journal = []
volume = {9:6}
journal type = {AC}
place = {USSR}
year = {1983}
month = {Jan}
}
title = {Theoretical study of stability geometrical and electronic structure of (BeHsub(2))sub(n) oligomers}
author = {Sukhanov, L P, Boldyrev, A I, and Charkin, O P}
abstractNote = {The Hartree-Fock-Ruthane method with the Roos-Siegbahn two-exponent basis is used to calculate stability, geometrical and electronic structures of (BeHsub(2))sub(n) oligomers, where n=1, 2, 3, 4 and 6. It is shown that with the growth of oligomerization degree n stability of linear band structure is increased as compared with other configurations including high-coordination volumetric ones. Tendencies in formation with n growth of geometrical, energetic characteristics, electronic structure of (BeHsub(2))sub(n) oligomers of band type are analysed.}
journal = []
volume = {9:6}
journal type = {AC}
place = {USSR}
year = {1983}
month = {Jan}
}