CCL: Banquo atoms Vs. Dummy atoms



 Sent to CCL by: Jozsef Csontos [jcsontos.lists[*]gmail.com]
 Anthony,
 ghost atoms do have basis functions and nothing else is there. They are
 used in calculating the basis set superposition error (BSSE - google for
 it to get some basic information about it).
 Dummy atoms don't have anything but coordinates. They used to help
 define some geometrical parameters of a molecular geometry (in Z-matrix
 form).
 So, basically ghosts are not innocent at all, they are guiltier than
 dummies :))
 Best,
 Jozsef
 Antonio G. De Crisci antonio.decrisci##utoronto.ca wrote:
 > Sent to CCL by: "Antonio G. De Crisci"
 [antonio.decrisci[#]utoronto.ca]
 > Hi all,
 >
 > Can someone tell me if ghost atoms (Bq) are as innocent as dummy atoms (X)?
 Im aware that Bq atoms dont have basis functions, but does this make it as
 innocent as dummy atoms? If so, why would you need Bq atoms?
 >
 > Thanks,
 > Anthony>
 >
 >
 >