Works matching AU Fripiat, Joseph G.
Results: 13
Evaluation of computational aspects of a modified CS-LCAO-SCF-CO strategy for electronic structure calculations of extended model chains.
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- International Journal of Quantum Chemistry, 1984, v. 26, p. 141, doi. 10.1002/qua.560260817
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On the use of laplace transform to evaluate one-dimensional lattice summations in quantum calculations of model polymers.
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- International Journal of Quantum Chemistry, 1980, v. 18, p. 431, doi. 10.1002/qua.560180844
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Electron density and related properties in stereoregular polymers and biopolymers.
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- Journal of Computational Chemistry, 1984, v. 5, n. 4, p. 349, doi. 10.1002/jcc.540050411
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- Article
Fourier Space Uncoupled Hartree-Fock Polarizabilities of One-Dimensionally Periodic Systems. Polyethylene and Polysilane Revisited.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 589, doi. 10.1515/zpch-2015-0741
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Ab initio investigation of the static polarizability of planar and twisted infinite polythiophene chains.
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- International Journal of Quantum Chemistry, 1994, v. 52, p. 451, doi. 10.1002/qua.560520842
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Ab initio determination of polarizabilities per subunit in polymeric systems using the polarization propagator: Application to model hydrogen chains.
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- International Journal of Quantum Chemistry, 1993, v. 46, n. 1, p. 1, doi. 10.1002/qua.560460102
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Efficient computation of electron-repulsion integrals in ab initio studies of polymeric systems.
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- International Journal of Quantum Chemistry, 1993, v. 48, n. S27, p. 793, doi. 10.1002/qua.560480871
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Equilbrium geometry and electrical polarizability of formic acid, formamide and their cyclic hydrogen-bonded paris.
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- International Journal of Quantum Chemistry, 1987, v. 32, p. 85, doi. 10.1002/qua.560320813
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Efficient calculation of the exchange in the Fourier representation of HF-LCAO-CO equations for 1D periodic systems.
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- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2960, doi. 10.1002/qua.22104
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Exchange contributions in the electronic structure of systems with 1D-periodicity: Importance and computation.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 2, p. 587, doi. 10.1002/qua.10047
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Virtues and potentialities of the Fourier transform method for electronic structure calculations of 1-D periodic systems at the Hartree-Fock level and beyond.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 4/5, p. 1326, doi. 10.1002/qua.10366
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Convergence of exchange lattice summations in direct-space polymer calculations.
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- International Journal of Quantum Chemistry, 2002, v. 89, n. 5, p. 452, doi. 10.1002/qua.10304
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Computational aspects of polymer band structure calculations by the Fourier space restricted Hartree-Fock method.
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- International Journal of Quantum Chemistry, 2000, v. 80, n. 4/5, p. 856, doi. 10.1002/1097-461X(2000)80:4/5<856::AID-QUA35>3.0.CO;2-9
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- Article