
TY  - JOUR
A1  - Gray, PD 
A1  - Burton, PG 
T1  - Full CI Extrapolation: Application to H2O with a Double Zeta Basis Set
JF  - Australian Journal of Physics
JO  - Aust. J.  Phys.
Y1  - 1986
VL  - 39
IS  - 5
SP  - 711
EP  - 716
KW  - 
UR  - https://doi.org/10.1071/PH860711 
N2  - A previously reported full CI (configuration interaction) extrapolation procedure based on multireference single and double CI, which gave excellent results for H20 at the equilibrium geometry, is extended to two other geometries for which explicit full CI results are known. The technique is shown to provide good results for cases where the SCF (self-consistent field) configuration is not strongly dominant, although degradation of performance is noticeable in these cases. The technique is also used to predict a full CI result for the 21 Al state of H20 with the double zeta basis. 
ER  -

