Open AccessCORRELATED WAVE FUNCTION THEORY FOR METAL SURFACES (Ⅰ)——THEORETICAL FRAMEWORK
Author(s) -
Sun X,
Tiecheng Li,
Gong Wu
Publication year - 1982
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.31.1466
Subject(s) - wave function , physics , atomic orbital , function (biology) , quantum mechanics , symmetry (geometry) , ground state , wave–particle duality , slater determinant , electron , mathematics , geometry , evolutionary biology , biology
In this paper, we present a theoretical framework about correlated wave function for metal surfaces. The trial wave function for surfaces consists of a determinant of model single particle orbitals which are solutions of a variational potential with a consistent special symmetry, and a Feenberg-Jastrow pair correlation factor. In the "jel-lium model", we obtain expressions of ground state energy of metal surfaces. For the case without Feenberg-Jastrow factor in the wave function, we also obtain the expression for electron density distribution.