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Susi Lehtola

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earned this badge 5 times.

Which basis set families were optimized to give the lowest possible variational energy for a given number of orbitals?

Awarded Apr 26, 2021 at 15:38

Why were no correlation consistent basis sets for potassium contracted for a non-relativistic Hamiltonian?

Awarded Apr 26, 2021 at 15:38

What are some recent developments in density functional theory?

Awarded Jan 29, 2021 at 7:48

What functions other than Gaussians are used for orbital basis sets?

Awarded Aug 10, 2020 at 18:22

How are one-/two- particle reduced density matrices printed in mainstream programs?

Awarded Jul 3, 2020 at 17:03

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