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Response to 'Comment on ‘The surplus function approach’ ' [J. Chem. Phys. 112, 455 (2000)]
- 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.
- Subjects :
- Physics
Quantum Monte Carlo
media_common.quotation_subject
Monte Carlo method
1s Slater-type function
General Physics and Astronomy
Function (mathematics)
Infinity
Schrödinger equation
symbols.namesake
Quantum mechanics
symbols
Diffusion Monte Carlo
Physical and Theoretical Chemistry
Schrödinger's cat
media_common
Mathematical physics
Subjects
Details
- ISSN :
- 10897690 and 00219606
- Volume :
- 113
- Database :
- OpenAIRE
- Journal :
- The Journal of Chemical Physics
- Accession number :
- edsair.doi...........7fbeca7d3852045ac0a1ac1071544054