Naslov
Helium Molecules in Three-Dimensional Space

Autori
Vranješ, Leandra ; Kilić, Srećko

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
MATH/CHEM/COMP/2002 Program & Book of abstracts / Graovac, Ante ; Pokrić, Biserka ; Smrečki, Vilko - Zagreb : Institut Ruđer Bošković, 2003, 91-91

Skup
The 18th Dubrovnik International Course and Conference on the Interfaces among Mathematics, Chemistry and Computer Sciences

Mjesto i datum
Dubrovnik, Hrvatska, 23.06.2003. - 28.06.2003

Vrsta sudjelovanja
Predavanje

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
mixed helium molecules; binding; Monte Carlo

Sažetak
The ground state properties of helium molecules consisting of 2 to 6 helium atoms are studied using variational, diffusion and fixed node diffusion Monte Carlo procedure. No bound states are found for molecules comprised of only ^3He atoms, as well as for molecules having only one ^4He. Our calculations also show that molecules ^3He_3^4He_2 and ^3He_4^4He_2 are less bound than ^3He_2^4He_2, and that ^3He_3^4He_3 molecule is less bound than ^3He_2^4He_3. These less bound molecules are in metastable states in which one or two ^3He atoms are far away from the rest of the system. Other considered molecules are bound. The calculations are performed using several different interatomic potentials.

Izvorni jezik
Engleski

Znanstvena područja
Fizika

POVEZANOST RADA