SQUARE-WELL DIATOMICS - EXACT LOW-DENSITY RESULTS

Authors
Citation
Mp. Taylor, SQUARE-WELL DIATOMICS - EXACT LOW-DENSITY RESULTS, Molecular physics, 82(6), 1994, pp. 1151-1164
Citations number
31
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00268976
Volume
82
Issue
6
Year of publication
1994
Pages
1151 - 1164
Database
ISI
SICI code
0026-8976(1994)82:6<1151:SD-ELR>2.0.ZU;2-J
Abstract
Exact semi-analytical expressions are obtained for the zero density si te-site distribution function and the second virial coefficient for ho monuclear square-well diatomics. The diatomic molecules considered her e are composed of two fused square-well spheres with hard core diamete r sigma, well diameter lambda sigma, and dimer bond length L, such tha t O < L less than or equal to sigma and 1 less than or equal to lambda less than or equal to 1 + L/sigma. Very accurate, although approximat e, analytical expressions are also given for these functions.