III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -192.5380166 |
correlated core | -192.5546124 |
difference | -0.0165957 |
Energy (hartrees) | |
---|---|
frozen core | -192.5380167 |
correlated core | -192.5546124 |
difference | -0.0165957 |
Energy (hartrees) | |
---|---|
frozen core | -192.5380166 |
correlated core | -192.5546123 |
difference | -0.0165957 |
Energy (hartrees) | |
---|---|
frozen core | -192.5380167 |
correlated core | -192.5546123 |
difference | -0.0165957 |