304 citations
- Ames Research CenterUS28 papers
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physics.chem-ph2022★ 6 cited
A truncated Davidson method for the efficient "chemically accurate" calculation of full configuration interaction wavefunctions without any large matrix diagonalization
Stephen J. Cotton
This work develops and illustrates a new method of calculating "chemically accurate" electronic wavefunctions (and energies) via a truncated full configuration interaction (CI) pro…
physics.chem-ph2020★ 38 cited
Are multi-quasiparticle interactions important in molecular ionization?
Carlos Mejuto-Zaera, Guorong Weng, Mariya Romanova +4
Photo-emission spectroscopy directly probes individual electronic states, ranging from single excitations to high-energy satellites, which simultaneously represent multiple quasipa…