NASA NTRS · 20000023211
Atomic Natural Orbital Basis Sets for Transition Metals
Abstract
We show that atomic natural orbitals are an excellent way to contract transition-metal basis sets, even though the different low-lying electronic states may have very different basis set requirements.
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Bauschlicher, Charles W., Jr., Taylor, Peter R.. 1993-01-01. Atomic Natural Orbital Basis Sets for Transition Metals. https://ntrs.nasa.gov/citations/20000023211
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