Diffusion Monte Carlo calculations on LaB molecule
Elkahwagy Nagat1, †, Ismail Atif1, 2, Maize S M A3, Mahmoud K R1
       

DMC potential energy curves of the doublet, quartet, and sextet states for LaB molecule using different functionals. (a) HF, (b) B3LYP, and (c) B3PW91.