Author/Authors :
Rossi، نويسنده , , Elda and Bendazzoli، نويسنده , , Gian Luigi and Evangelisti، نويسنده , , Stefano and Maynau، نويسنده , , Daniel، نويسنده ,
Abstract :
A full-configuration interaction (FCI) calculation has been performed for the nitrogen molecule using an ANO [4s3p1d] basis set. The FCI space for such a system contains about 9.68×109 symmetry-adapted Slater determinants. The FCI results are compared with several approximate methods, both of single- and multi-reference type, in order to test their accuracy.
