
TY  - JOUR
A1  - Andriopoulos, N 
A1  - von Nagy-Felsobuki, EI 
T1  - Pseudopotential Calculations for Li2, Na2 and NaLi
JF  - Australian Journal of Physics
JO  - Aust. J.  Phys.
Y1  - 1988
VL  - 41
IS  - 4
SP  - 563
EP  - 572
KW  - 
UR  - https://doi.org/10.1071/PH880563 
N2  - A valence-electron only model potential (V ALMOP) pseudopotential method has been developed utilising the GAUSSIAN 76 integral packages. VALMOP and the reference ab initio potential energy curves have been calculated for the ground electronic state of Li2, Na2 and NaLi using a number of different basis sets. Comparisons indicate that V ALMOP accurately reproduces internuclear bondlengths, valence orbital eigenvalues and, moreover, the shape of the all-electron potential energy curves over a large range of bondlength R. 
ER  -

