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Response to 'Comment on ‘The surplus function approach’ ' [J. Chem. Phys. 112, 455 (2000)]

Authors :
Hongxin Huang
Source :
The Journal of Chemical Physics. 113:456-456
Publication Year :
2000
Publisher :
AIP Publishing, 2000.

Abstract

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.

Details

ISSN :
10897690 and 00219606
Volume :
113
Database :
OpenAIRE
Journal :
The Journal of Chemical Physics
Accession number :
edsair.doi...........7fbeca7d3852045ac0a1ac1071544054