dc.contributor.author |
Kaplan, IG |
|
dc.contributor.author |
OrtegaBlake, I |
|
dc.contributor.author |
Novaro, O |
|
dc.contributor.author |
HernándezCobos, J |
|
dc.date.accessioned |
2011-01-22T10:28:24Z |
|
dc.date.available |
2011-01-22T10:28:24Z |
|
dc.date.issued |
1996 |
|
dc.identifier.issn |
1050-2947 |
|
dc.identifier.uri |
http://hdl.handle.net/11154/3407 |
|
dc.description.abstract |
The many-body decomposition of the interaction energy for Be-N and Li-N (N'=2 to 4) clusters is calculated in two approximations: the self-consistent-field method and the Muller-Plesset perturbation theory up to the fourth order. This allows us to estimate the electron-correlation contributions to the many-body forces. The explicit expressions for these contributions in the perturbation theory formalism are obtained. We present a comparative analysis of the role of electron correlations in the Be-N and Li-N cluster formations and in the many-body interactions in these clusters. As follows from our results, the contribution of electron correlation to many-body interactions is essential for both the Be-N and Li-N clusters, especially for the latter ones, where nonadditivities are surprisingly large. |
en_US |
dc.language.iso |
en |
en_US |
dc.title |
Many-body forces and electron correlation in small metal clusters |
en_US |
dc.type |
Article |
en_US |
dc.identifier.idprometeo |
3108 |
|
dc.source.novolpages |
53(4):2493-2500 |
|
dc.subject.wos |
Optics |
|
dc.subject.wos |
Physics, Atomic, Molecular & Chemical |
|
dc.description.index |
WoS: SCI, SSCI o AHCI |
|
dc.relation.journal |
Physical Review A |
|