THEORETICAL STUDIES OF C1 ON Ag(100) SURFACE BY SW-X_α-SCF METHOD

For solving the long existing controversy about the chemisorption geometry of Cl/Ag (100), we show, by a SW- X_α-SCF cluster calculation, that the SOM(simple overlayer model) is more plausible. This conclusion agrees quite well with the more recent high resolution results obtained by angle-resolved photoemission.