[求助] 表面吸附中Binding Energry怎么算

Originally posted by uuv2010 at 2011-07-14 18:39:42:
应该是一个意思吧，即
E（binding）=E(TOT)-E(surface)-E(molecule)
或者写为
E(binding)=E(after adsorbe)-E(before adsorbe)

[ Last edited by uuv2010 on 2011-7-14 at 18:40 ]