화학공학소재연구정보센터
Journal of Chemical Physics, Vol.120, No.8, 3642-3647, 2004
Properties of selected diatomics using variational Monte Carlo methods
Using variational Monte Carlo and highly accurate trial wave functions optimized by Filippi and Umrigar, we calculate a number of molecular properties for the ground state of Li-2, Be-2, B-2, C-2, N-2, O-2, and F-2. This is the first time that many of these properties have been computed. (C) 2004 American Institute of Physics.