摘要
Fixed samples are introduced in the quantum Monte Carlo method to reduce square devia-tions so as to convergently optimize the parameters of tried wave functions. The tried wavefunctions attained in this way have been used to calculate energies of H_2, Li_2 and H_2O mole-cules. The results are satisfactory.
Fixed samples are introduced in the quantum Monte Carlo method to reduce square devia-tions so as to convergently optimize the parameters of tried wave functions. The tried wavefunctions attained in this way have been used to calculate energies of H<sub>2</sub>, Li<sub>2</sub> and H<sub>2</sub>O mole-cules. The results are satisfactory.
基金
Project supported by the National Natural Science Foundation of China.
