Pregled bibliografske jedinice broj: 158238
Vibrations of closed-shell Lennard-Jones icosahedral and cuboctahedral clusters and their effect on the cluster ground-state energy
Vibrations of closed-shell Lennard-Jones icosahedral and cuboctahedral clusters and their effect on the cluster ground-state energy // Physical review. B, Condensed matter and materials physics, 70 (2004) (međunarodna recenzija, članak, znanstveni)
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Naslov
Vibrations of closed-shell Lennard-Jones icosahedral and cuboctahedral clusters and their effect on the cluster ground-state energy
Autori
Šiber, Antonio
Izvornik
Physical review. B, Condensed matter and materials physics (1098-0121) 70
(2004);
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
clusters; free energy; quantum vibrations; stability
Sažetak
Vibrational spectra of closed shell Lennard-Jones icosahedral and cuboctahedral clusters are calculated for shell numbers between 2 and 9. Evolution of the vibrational density of states with the cluster shell number is examined and differences between icosahedral and cuboctahedral clusters described. This enabled a quantum calculation of ground state energies of the clusters in the quasiharmonic approximation and a comparison of the differences between the two types of clusters. It is demonstrated that in the quantum treatment, the closed shell icosahedral clusters binding energies differ from those of cuboctahedral clusters more than is the case in classical treatment.
Izvorni jezik
Engleski
Znanstvena područja
Fizika
POVEZANOST RADA
Citiraj ovu publikaciju:
Časopis indeksira:
- Current Contents Connect (CCC)
- Web of Science Core Collection (WoSCC)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus
Uključenost u ostale bibliografske baze podataka::
- The INSPEC Science Abstracts series
