6‐31G* basis set for third‐row atoms

By V. Rassolov, Mark A. Ratner, J. Pople, Paul C. Redfern, Larry A. Curtiss. Journal of Computational Chemistry, 2001

1,996 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Materials Chemistry, Organic Chemistry

View Paper: https://www.semanticscholar.org/paper/3518a06279a4b1849ad4701b48ed57479df83a39

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In Atomic and Molecular Physics, and Optics

1. Frank Jensen

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Citations in the corpus

• Atomic orbital basis sets (2013, background): “(12), are formally three-point extrapolations, but the exponential B-parameter can to a good approximation be taken as a universal constant, in which case the extrapolation only requires two points.”