Reliability of atomic natural orbital ba
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C. Sousa; J. Rubio; F. Illas
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Article
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1992
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John Wiley and Sons
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English
⚖ 676 KB
## Abstract The performance of Atomic Natural Orbital (ANO) basis sets for calculations involving nonempirical core pseudopotentials has been studied by comparing the results for atomic and molecular nitrogen obtained using contracted ANO basis sets with those obtained using both the primitive set