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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Erratum: Liquid water with an ab initio potential: X‐ray and neutron scattering from 238 to 368 K [J. Chem. Phys. 97, 2030 (1992)]
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Study of relativistic effects in atoms and molecules by the kinetically balanced LCAO approach: Ground state of hydrogen and of hydrogenic atoms in Slater and Gaussian basis functions
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Techniques for the compression of sequences of integer numbers and real numbers with fixed absolute precision
TL;DR: Algorithms to reduce the space needed to store information either in memory or magnetic media are presented and FORTRAN subroutines are presented for packing/unpacking indices and integrals both in the IBM and IEEE 754 64‐bit floating point formats.
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Liquid and solid phases of water : an extensive molecular dynamics simulation with an ab initio polarizable potential
TL;DR: In this paper, the reliability of the ab initio, polarizable and flexible Nieser-Corongiu-Clementi potential at describing the structure and dynamics of the liquid and solid phases of water is presented.
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Stochastic dynamic simulation of a protein
TL;DR: In this article, the internal motions of a small protein, the bovine pancreatic trypsin inhibitor (BPTI) in solution, are investigated in the framework of the Langevin equation.