Premium
Numerical solution of the Born‐Green equation for the pair potential
Author(s) -
Waseda Y.,
Suzuki K.
Publication year - 1971
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220470125
Subject(s) - pair potential , integral equation , lennard jones potential , function (biology) , mathematics , numerical analysis , range (aeronautics) , green's function , mathematical analysis , physics , thermodynamics , quantum mechanics , materials science , molecular dynamics , evolutionary biology , biology , composite material
To derive the pair potential from observed structural data the Born‐Green equation has been numerically solved by a linearized simultaneous equation method without any initial function. Liquid Cs has a long‐range oscillatory potential, whereas liquid Ar has a Lennard‐Jones type potential. Problems such as truncating the infinite integral at a finite upper value in computing the pair potential have been discussed by means of numerical analysis.