E
Enrico Clementi
Researcher at IBM
Publications - 264
Citations - 16189
Enrico Clementi is an academic researcher from IBM. The author has contributed to research in topics: Ab initio & Hartree–Fock method. The author has an hindex of 65, co-authored 264 publications receiving 15974 citations.
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CI study of the water dimer potential surface
TL;DR: In this article, the potential energies for the water dimer in various geometrical configurations have been calculated with a configuration-interaction method and the correlation effects for the entire potential surface have been analyzed in terms of inter− and intramolecular effects; the substantial coupling found between these effects, particularly in the vicinity of equilibrium position, is discussed.
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Ab initio analytic polarizability, first and second hyperpolarizabilities of large conjugated organic molecules: Applications to polyenes C4H6 to C22H24
TL;DR: In this article, the static dipole polarizability and second hyperpolarizability tensors are calculated for polyene systems via ab initio coupled-perturbed Hartree-Fock theory.
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Study of the electronic structure of molecules. XXI. Correlation energy corrections as a functional of the Hartree‐Fock density and its application to the hydrides of the second row atoms
George C. Lie,Enrico Clementi +1 more
TL;DR: In this paper, a semi-empirical functional of the Hartree-Fock density is presented for estimates of the correlation energy correction, which is similar to the one proposed by Gombas and is parametrized with reference to few atomic systems.