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K. Birgitta Whaley

2 results in Authors: K. Birgitta Whaley

Theoretical and Computational Chemistry

What Levels of Coupled Cluster Theory Are Appropriate for Transition Metal Systems? a Study Using near Exact Quantum Chemical Values for 3d Transition Metal Binary Compounds.

Diptarka Hait, Norman Tubman, Daniel Levine, K. Birgitta Whaley, Martin Head-Gordon

Version 2 posted 22 August 2019

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Theoretical and Computational Chemistry

Bridging physical intuition and hardware efficiency for correlated electronic states: the local unitary cluster Jastrow ansatz for electronic structure

Mario Motta, Kevin J. Sung, K. Birgitta Whaley, Martin Head-Gordon, James Shee

Version 1 posted 17 April 2023

704

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