Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
115 (2001), S. 761-765
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
It is difficult, if not impossible, to extrapolate the helium pair potential to the limit of a complete basis to within the accuracy needed to improve significantly on existing, directly computed potentials. Even though the basis-set convergence of calculations in a correlation-consistent basis with cardinal number X is dominated by the X−3 term, it is important to account for energy terms that converge more rapidly than ∝X−3. The electron-correlation contribution to the potential will be overestimated noticeably when these terms are not properly taken into account. © 2001 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.1379577
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