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Institute for Theoretical Chemistry
Pseudopotentials, ECPs
Research
- Pseudopotentials, ECPs
- Projects
- Molpro
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Energy-Consistent Pseudopotentials of the Stuttgart/Cologne Group
Click an element in the periodic table to get the pseudopotential parameters and corresponding optimized valence basis sets.
Data format:
Molpro
Gaussian
Turbomole
Crystal
No core, no
EC
(=core)
P
last change 30.12.2006 (
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