Journal
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
Volume 41, Issue 1, Pages 30-37Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ci000048w
Keywords
-
Ask authors/readers for more resources
Effective core potentials are analyzed from the standpoint of the underlying frozen core approximation. The content of the pseudoorbital, the content of the potential, and the properties of both are elaborated, showing the points at which they differ from the frozen core approximation and where possible deficiencies might lie.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available