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.
Papers
More filters
Journal ArticleDOI
Hylleraas variational perturbation theory: Application to correlation problems in molecular systems
TL;DR: Hylleraas variational perturbation theory is applied through second order in energy to estimate the correlation energy in several molecular systems as discussed by the authors, which leads to equations nearly identical to the multireference linearized coupled cluster method of Laidig and Bartlett.
Journal ArticleDOI
Use of double cosets in constructing integrals over symmetry orbitals
TL;DR: In this article, double cosets are used to reduce the formulas for integrals over symmetry orbitals to unique integrals on atomic orbitals, which are then used to construct the double coset.
Journal ArticleDOI
UDFT and MCSCF descriptions of the photochemical Bergman cyclization of enediynes
TL;DR: It is concluded that the Bergman cyclization along the 13B path is unlikely despite its exothermicity (Delta = -42 kcal/mol).
Journal ArticleDOI
The B K method: Application to methylene
TL;DR: In this paper, the B(K) method was compared with conventional Configuration Interaction (CI) and other perturbation methods for the 3B1 and 1A1 states of methylene.
Journal ArticleDOI
Allylic resonance - when is it unimportant?
TL;DR: In this article, the theory of Jahn-Teller et al. is used to show that les differences d'electronegativite et la conjugaison cyclique peuvent chacune minimiser l'importance de la resonance allylique dans les redicaux libres, bien que the repulsion electronique provoque une resonance importante dans the diradicaux.