E
Ernest R. Davidson
Researcher at University of Washington
Publications - 483
Citations - 31663
Ernest R. Davidson is an academic researcher from University of Washington. The author has contributed to research in topics: Ground state & Configuration interaction. The author has an hindex of 78, co-authored 480 publications receiving 30616 citations. Previous affiliations of Ernest R. Davidson include Lawrence Livermore National Laboratory & Indiana University.
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Symmetry breaking in polyatomic molecules: real and artifactual
TL;DR: In this article, the rupture de symetrie resultant de croisements evites Von Neumann-Wigner ou Jahn-Teller, ou d'effets pseudo-Jahn Teller.
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Asymptotic behavior of atomic and molecular wave functions.
Jacob Katriel,Ernest R. Davidson +1 more
TL;DR: This work shows that the recently developed extended Koopmans' procedures are in principle exact for the first ionization energy.
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Porphyrins XXVIII. Extended Hückel calculations on metal phthalocyanines and tetrazaporphins
TL;DR: Extended Huckel (EH) calculations on Mg, Zn, Cu, Ni, Fe, Mn, and VO complexes of phthalocyanine and tetrazaporphin are reported and the results compared to similar calculations on porphyrins as mentioned in this paper.
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One‐electron properties of several small molecules using near Hartree–Fock limit basis sets
TL;DR: In this article, extended Gaussian basis sets at the SCF and CI levels were used to recover approximately 86% of the estimated total correlation energy (88% of valence) and yielded the lowest variational energies and closest overall agreement with experimentally determined properties to date.