Materials Science Forum, Vol.445-6, 443-445, 2004
Towards a screened proton model for positron-molecule interactions
Accurate ab initio quantum mechanical calculations on many-electron atoms and molecules require enormous labor, which is provided not by the researcher but rather by nearly automatic computer programs. There is no corresponding program for mixed electron-positron systems, and we have set ourselves to the task of creating one. Progress toward that goal is reported here.