Variational and diffusion Monte Carlo simulations of a hydrogen molecular ion in a spherical box
Xiao Xuehui, Bao Kuo †, Wang Youchun, Xie Hui, Duan Defang, Tian Fubo, Cui Tian ‡
The average Δe versus semi-major axis a (in atomic units). The black squares are the calculation results in the mobile model, and the red circles are the calculation results in the fixed model. The motion of proton makes the average step of the electron Δe larger.
