A method for optimizing tried wave functions in quantum Monte Carlo method has been found and used to calculate the energies of molecules, such as H_2, Li_2, H_3^+, H_3 and H_4. Good results were obtained.
基金Project supported by the National Natural Science Foundation of China.
文摘A method for optimizing tried wave functions in quantum Monte Carlo method has been found and used to calculate the energies of molecules, such as H_2, Li_2, H_3^+, H_3 and H_4. Good results were obtained.
