Response to “Comment on ‘The surplus function approach’ ” [J. Chem. Phys. 112, 455 (2000)]
2000
The existence of integral (Hi¯) in the surplus function variational quantum Monte Carlo approach is discussed and a method is proposed for avoiding the infinity in the calculation of Hi¯. A rigid model of nucleus was adopted to avoid the infinity appearance of r−i. Discussion of a new solution for Schrodinger’s equation of hydrogen atom, which may make the calculation of the Hi¯ value more accurate is also presented.
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