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.

Published in:

International Journal of Quantum Chemistry, 1984, v. 26, p. 141, doi. 10.1002/qua.560260817

By:

Delhalle, Joseph;
Fripiat, Joseph G.;
Harris, Frank E.

Publication type:

Article

On the use of laplace transform to evaluate one-dimensional lattice summations in quantum calculations of model polymers.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, p. 431, doi. 10.1002/qua.560180844

By:

Delhalle, Joseph;
Fripiat, Joseph G.;
Piela, Lucjan

Publication type:

Article

Electron density and related properties in stereoregular polymers and biopolymers.

Published in:

Journal of Computational Chemistry, 1984, v. 5, n. 4, p. 349, doi. 10.1002/jcc.540050411

By:

André, Jean-Marie;
Vercauteren, Daniel P.;
Fripiat, Joseph G.

Publication type:

Article

Fourier Space Uncoupled Hartree-Fock Polarizabilities of One-Dimensionally Periodic Systems. Polyethylene and Polysilane Revisited.

Published in:

Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 589, doi. 10.1515/zpch-2015-0741

By:

Fripiat, Joseph G.;
Champagne, Benoît;
Harris, Frank E.

Publication type:

Article

Ab initio investigation of the static polarizability of planar and twisted infinite polythiophene chains.

Published in:

International Journal of Quantum Chemistry, 1994, v. 52, p. 451, doi. 10.1002/qua.560520842

By:

Mosley, David H.;
Fripiat, Joseph G.;
Champagne, Benoît;
André, Jean-Marie

Publication type:

Article

Ab initio determination of polarizabilities per subunit in polymeric systems using the polarization propagator: Application to model hydrogen chains.

Published in:

International Journal of Quantum Chemistry, 1993, v. 46, n. 1, p. 1, doi. 10.1002/qua.560460102

By:

Champagne, Benoît;
Mosley, David H.;
Fripiat, Joseph G.;
André, Jean-Marie

Publication type:

Article

Efficient computation of electron-repulsion integrals in ab initio studies of polymeric systems.

Published in:

International Journal of Quantum Chemistry, 1993, v. 48, n. S27, p. 793, doi. 10.1002/qua.560480871

By:

Mosley, David H.;
Fripiat, Joseph G.;
Champagne, Benoît;
André, Jean-Marie

Publication type:

Article

Equilbrium geometry and electrical polarizability of formic acid, formamide and their cyclic hydrogen-bonded paris.

Published in:

International Journal of Quantum Chemistry, 1987, v. 32, p. 85, doi. 10.1002/qua.560320813

By:

Dory, Magdalena;
Delhalle, Joseph;
Fripiat, Joseph G.;
Andre, Jean-Marie

Publication type:

Article

Efficient calculation of the exchange in the Fourier representation of HF-LCAO-CO equations for 1D periodic systems.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2960, doi. 10.1002/qua.22104

By:

Fripiat, Joseph G.;
Delhalle, Joseph

Publication type:

Article

Exchange contributions in the electronic structure of systems with 1D-periodicity: Importance and computation.

Published in:

International Journal of Quantum Chemistry, 2002, v. 90, n. 2, p. 587, doi. 10.1002/qua.10047

By:

Delhalle, Joseph;
Fripiat, Joseph G.;
Harris, Frank E.

Publication type:

Article

Virtues and potentialities of the Fourier transform method for electronic structure calculations of 1-D periodic systems at the Hartree-Fock level and beyond.

Published in:

International Journal of Quantum Chemistry, 2002, v. 90, n. 4/5, p. 1326, doi. 10.1002/qua.10366

By:

Delhalle, Joseph;
Fripiat, Joseph G.;
Harris, Frank E.

Publication type:

Article

Convergence of exchange lattice summations in direct-space polymer calculations.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 5, p. 452, doi. 10.1002/qua.10304

By:

Jacquemin, Denis;
Fripiat, Joseph G.;
Champagne, Benoît

Publication type:

Article

Computational aspects of polymer band structure calculations by the Fourier space restricted Hartree-Fock method.

Published in:

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

By:

Fripiat, Joseph G.;
Flamant, Isabelle;
Harris, Frank E.;
Delhalle, Joseph

Publication type:

Article