MOLECULAR IMPURITIES IN HELIUM CLUSTERS

被引：22

作者：

BARNETT, RN

WHALEY, KB

机构：

[1] Department of Chemistry, University of California, Berkeley, 94720, CA

来源：

ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS | 1994年 / 31卷 / 1-2期

关键词：

D O I：

10.1007/BF01426582

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

We review recently developed theories of molecular interactions with helium clusters. Ground state energies and structures are obtained from Monte Carlo and density functional calculations for a variety of impurities and a range of cluster sizes. Of particular interest are chemical potentials, location of the impurity, and shape of the helium density surrounding it. Included in the work summarized here are results for light molecules (H-2 and D2) which interact weakly with He and results for heavier molecules (Cl2 and SF6) which interact more strongly with He. Finally, theoretical and experimental results are compared for SF6 in helium clusters.

引用

页码：75 / 84

页数：10

共 48 条

[1] QUANTUM CHEMISTRY BY RANDOM-WALK - H2P,H+3D3H1A'1,H-23-SIGMA+U,H-41-SIGMA+G,BE1S [J].