A MODIFIED MORSE FUNCTION TO DESCRIBE PAIRWISE ATOMIC INTERACTIONS

Authors
TRAVLOS SD BOEYENS JCA
Citation
Sd. Travlos et Jca. Boeyens, A MODIFIED MORSE FUNCTION TO DESCRIBE PAIRWISE ATOMIC INTERACTIONS, South African Journal of Chemistry, 50(1), 1997, pp. 17-21
Citations number
54
Categorie Soggetti
Chemistry
Journal title
South African Journal of Chemistry → ACNP
ISSN journal
03794350
Volume
50
Issue
1
Year of publication
1997
Pages
17 - 21
Database
ISI
SICI code
0379-4350(1997)50:1<17:AMMFTD>2.0.ZU;2-X
Abstract
The modified Morse functions V(r) = De(-2a(r-r1)) - 2De(-u(r-r1)) + A sech(2)a(r-r(2)) V(r) = De(-2a(r-r1)) - 2De(-a(r-r1)) + A {secha(r-r(2 )) - [A' + 2e](-a(r-r2)) sech(2)a (r-r(2))} are capable of describing the interaction between a pair of atoms at all distances by including both covalent interaction at short range and weakly attractive interac tions at larger separations. A procedure to solve the Schrodinger equa tion for these potentials by a Frobenius method is discussed.