MULTICRITICAL PHENOMENA FOR THE HYDROGEN MOLECULE AT THE LARGE-DIMENSION LIMIT

Authors
Citation
P. Serra et S. Kais, MULTICRITICAL PHENOMENA FOR THE HYDROGEN MOLECULE AT THE LARGE-DIMENSION LIMIT, Chemical physics letters, 260(1-2), 1996, pp. 302-308
Citations number
31
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
260
Issue
1-2
Year of publication
1996
Pages
302 - 308
Database
ISI
SICI code
0009-2614(1996)260:1-2<302:MPFTHM>2.0.ZU;2-6
Abstract
We show that symmetry breaking of the electronic structure configurati ons for the Hartree-Fock hydrogen molecule at the large-dimension limi t can be described as standard phase transitions. The phase diagram in the internuclear distance-nuclear charge plane shows three different stable phases corresponding to different electronic structure configur ations. This phase diagram is characterized by a bicritical point wher e the two continuous phase transition lines join a first order transit ion line.