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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Energetics and electronic structure of chromium hexacarbonyl
TL;DR: In this article, the authors investigated the molecular orbital self-consistent field model of bonding in Cr(CO) 6, and examined the energetics and electron density using a large range of tools.
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Energies of isoelectronic atomic ions from a successful metageneralized gradient approximation and other density functionals
TL;DR: In this article, the authors show that the performance of approximate Kohn-Sham density functional theory for highly charged atomic ions is improved dramatically by ensuring that the exchange functional recovers the correct leading term in the $Z$ expansion of the exchange energy.
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Singlet-triplet energy gaps for diradicals from particle-particle random phase approximation.
TL;DR: With a correct asymptotic behavior and being almost free from static correlation error, the pp-RPA with DFT references can well describe the challenging ground state and charge transfer excitations of disjoint diradicals in which almost all other DFT-based methods fail.
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Ligand-assisted reduction of osmium tetroxide with molecular hydrogen via a [3+2] mechanism.
Ahmad Dehestani,Wai Han Lam,David A. Hrovat,Ernest R. Davidson,Weston Thatcher Borden,James M. Mayer +5 more
TL;DR: Osmium tetroxide is reduced by molecular hydrogen in the presence of ligands in both polar and nonpolar solvents and the observation that ligands also accelerate H2 addition to OsO4(L)n highlights the analogy between these two reactions.
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An ICSCF investigation of Walsh's rules
TL;DR: In this article, the ICSCF method is applied to the calculation of orbital energies as a function of bond angle for several AH2 molecules, and the resulting orbital energy diagrams are quite similar in appearance to the canonical SCF results.