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1

[Lecture Notes in Chemistry] Mathematical Models and Methods for Ab Initio Quantum Chemistry Volume 74 || SCF algorithms for HF electronic calculations

Defranceschi, Mireille, Le Bris, Claude

Year:

2000

Language:

english

File:

PDF, 2.09 MB

english, 2000

2

[Lecture Notes in Chemistry] Mathematical Models and Methods for Ab Initio Quantum Chemistry Volume 74 ||

Defranceschi, Mireille, Le Bris, Claude

Year:

2000

Language:

english

File:

PDF, 19.95 MB

english, 2000

3

Limits of minimum problems with convex

Anneliese Defranceschi,, Enrico Vitali,

Journal:

Applicable Analysis

Year:

1994

Language:

english

File:

PDF, 1.20 MB

english, 1994

4

Some recent mathematical contributions to quantum chemistry

Eric Cances, Mireille Defranceschi, Claude Le Bris

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 125 KB

english, 1999

5

Some properties of a class of nonlinear variational μ-capacities

Gianni Dal Maso, Anneliese Defranceschi

Journal:

Journal of Functional Analysis

Year:

1988

Language:

english

File:

PDF, 733 KB

english, 1988

6

The planetary scale distribution of telluric currents and the effect of the equatorial electrojet: An investigation by canonical GDS

G. P. Gregori, L. J. Lanzerotti, B. Alessandrini, G. DeFranceschi, R. Cipollone

Journal:

Pure and Applied Geophysics

Year:

1987

Language:

english

File:

PDF, 1.17 MB

english, 1987

7

Homogenization of free discontinuity problems

Andrea Braides, Anneliese Defranceschi, Enrico Vitali

Journal:

Archive for Rational Mechanics and Analysis

Year:

1996

Language:

english

File:

PDF, 2.91 MB

english, 1996

8

Numerical Solution of the Schrodinger Equation in a Wavelet Basis for Hydrogen-Like Atoms

Patrick Fischer and Mireille Defranceschi

Journal:

SIAM Journal on Numerical Analysis

Year:

1998

Language:

english

File:

PDF, 1.08 MB

english, 1998

9

chain

Defranceschi, Mireille, Delhalle, Joseph

Journal:

Physical Review B

Year:

1986

Language:

english

File:

PDF, 1001 KB

english, 1986

10

QUESTIONS D'HISTOIRE DE LA CORSE (fin XVIIIesiècle - Révolution française) || Sources de l'Histoire de la Corse au Public Record Office de Londres avec 38 lettres inédites de Pasquale Paoliby Dorothy CARRINGTON

Review by: Jean DEFRANCESCHI

Journal:

Annales historiques de la Révolution française

Year:

1985

Language:

french

File:

PDF, 250 KB

french, 1985

11

GLANES

Françoise Fortunet de Loisy, Marcel Dorigny, Claude Gindin, Serena Torjussen, Haim Burstin, Jean Deprun, R. Bouis, J.-J. Hemardinquer and J. Defranceschi

Journal:

Annales historiques de la Révolution française

Year:

1979

Language:

french

File:

PDF, 1.24 MB

french, 1979

12

LA CORSE Des Lumières à la Révolution || PASTEURS ET CULTIVATEURS EN CORSE AU XVIIIeSIÈCLE

Jean DEFRANCESCHI

Journal:

Annales historiques de la Révolution française

Year:

1974

Language:

french

File:

PDF, 1022 KB

french, 1974

13

QUESTIONS D'HISTOIRE DE LA CORSE (fin XVIIIesiècle - Révolution française) || L'EXPÉRIENCE CORSE DE PHILIPPE BUONARROTI. Les structures agraires de la Corse au début de la Révolution Française

J. DEFRANCESCHI

Journal:

Annales historiques de la Révolution française

Year:

1985

Language:

french

File:

PDF, 1.40 MB

french, 1985

14

Production of methyl oleate by direct addition of fermented solid Penicillium sumatrense and Aspergillus fumigatus

Oliveira, Anne Caroline Defranceschi, Frensch, Gustavo, Marques, Francisco de Assis, Vargas, JosÃ© Viriato Coelho, Rodrigues, Maria Luiza Fernandes, Mariano, AndrÃ© Bellin

Journal:

Renewable Energy

Year:

2020

File:

PDF, 1.06 MB

2020

15

Note on origin-shift invariants and phase constraints for momentum space wave functions

G. Berthier, M. Defranceschi, G. Tsoucaris

Journal:

International Journal of Quantum Chemistry

Year:

1996

Language:

english

File:

PDF, 376 KB

english, 1996

16

Form factors directly determined from momentum space Hartree—Fock solutions: H2 and Li2

G. Berthier, M. Defranceschi, J. Navaza, G. Tsoucaris

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 171 KB

english, 1997

17

Computing a molecule in its environment: A mathematical viewpoint

Mireille Defranceschi, Claude Le Bris

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 406 KB

english, 1999

18

Introduction

M. Defranceschi

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 26 KB

english, 2000

19

Electronic structure of minerals: The apatite group as a relevant example

Vanina Louis-Achille, Laurent De Windt, Mireille Defranceschi

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 6.56 MB

english, 2000

20

Simulation of ab initio results for palladium and rhodium clusters by tight-binding calculations

G. Berthier, M. Defranceschi, R. Montagnani, O. Salvetti

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 175 KB

english, 2001

21

Improving the One-Electron States of ab initio GTO Calculations in Momentum Space. Tests on two-Electron Systems: H−, He and Li−+

Joseph Delhalle, Joseph G. Fripiat, Mireille Defranceschi

Journal:

Bulletin des Sociétés Chimiques Belges

Year:

1990

Language:

english

File:

PDF, 476 KB

english, 1990

22

Iterative Process for Solving Hartree–Fock Equations by Means of a Wavelet Transform

Patrick Fischer, Mireille Defranceschi

Journal:

Applied and Computational Harmonic Analysis

Year:

1994

File:

PDF, 705 KB

1994

23

A Combined Analytical and Numerical Strategy to Solve the Atomic Hartree-Fock Equations in Momentum Space

Laurent deWindt, Patrick Fischer, Mireille Defranceschi, Joseph Delhalle, Joseph G. Fripiat

Journal:

Journal of Computational Physics

Year:

1994

File:

PDF, 373 KB

1994

24

Numerical integration over a spherical shell

M. Defranceschi, M. Sarrazin

Journal:

Computer Physics Communications

Year:

1989

Language:

english

File:

PDF, 298 KB

english, 1989

25

A comparative theoretical study of dimethyl ether, diethyl ether, isopropyl methyl ether and their perfluorinated analogues

Michèle Fontaine, Joseph Delhalle, Mireille Defranceschi, Jean-Michel M. Bourin

Journal:

Journal of Molecular Structure

Year:

1993

Language:

english

File:

PDF, 769 KB

english, 1993

26

Dependence of the vibrational frequencies and intensities on the configuration of polyacrylonitrile: an ab initio study on model oligomers

Didier Mathieu, Mireille Defranceschi, Gérard Lécayon, André Grand, Joseph Delhalle

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 821 KB

english, 1993

27

Insight into polyacrylonitrile molecular structure from calculated vibrational frequencies and infrared intensities of model oligomers

Didier Mathieu, Mireille Defranceschi, Gérard Lécayon, Joseph Delhalle

Journal:

Chemical Physics

Year:

1994

Language:

english

File:

PDF, 1.18 MB

english, 1994

28

Dissociative chemisorption of perfluoropolyethers above reactive sites on nickel surfaces: A theoretical contribution

Christophe Bureau, Mireille Defranceschi, Joseph Delhalle, Jean-Michel Bourin

Journal:

Journal of Molecular Catalysis

Year:

1993

Language:

english

File:

PDF, 1.19 MB

english, 1993

29

Homogenization of monotone operators

Valeria ChiadòPiat, Anneliese Defranceschi

Journal:

Nonlinear Analysis: Theory, Methods & Applications

Year:

1990

Language:

english

File:

PDF, 1.00 MB

english, 1990

30

Calculation of the triple differential cross sections for high energy electron impact ionisation of helium

M. Defranceschi, A. Lahmam-Bennani

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

1989

Language:

english

File:

PDF, 356 KB

english, 1989

31

Molecular aspects of the β-decay in Tc clusters

M Defranceschi, G Berthier

Journal:

Journal of Nuclear Materials

Year:

2002

Language:

english

File:

PDF, 262 KB

english, 2002

32

The cationic polymerization of N-vinyl-2-pyrrolidone initiated electrochemically by anodic polarization on a Pt surface

E. Léonard-Stibbe, G. Lécayon, G. Deniau, P. Viel, M. Defranceschi, G. Legeay, J. Delhalle

Journal:

Journal of Polymer Science Part A: Polymer Chemistry

Year:

1994

Language:

english

File:

PDF, 361 KB

english, 1994

33

Preface: Some numerical methods and modeling issues in quantum chemistry

M. Defranceschi, Cl. Le Bris

Journal:

International Journal of Quantum Chemistry

Year:

2003

Language:

english

File:

PDF, 35 KB

english, 2003

34

Shortcomings in computational chemistry

G. Berthier, M. Defranceschi, C. Le Bris

Journal:

International Journal of Quantum Chemistry

Year:

2003

Language:

english

File:

PDF, 109 KB

english, 2003

35

Optimizing the formula of rare earth-bearing materials: A computational chemistry investigation

Marjorie Bertolus, Mireille Defranceschi

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 185 KB

english, 2007

36

Obituary

Mireille Defranceschi, Yves Ellinger, Olivier Parisel, Françoise Pauzat

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 59 KB

english, 2011

37

Numerical solution of Hartree–Fock equations for a polyatomic molecule: Linear H3 in momentum space

M. Defranceschi, M. Suard, G. Berthier

Journal:

International Journal of Quantum Chemistry

Year:

1984

Language:

english

File:

PDF, 188 KB

english, 1984

38

Toward fully numerical evaluation of momentum space Hartree–Fock wave functions. Numerical experiments on the He atom

Joseph Delhalle, Mireille Defranceschi

Journal:

International Journal of Quantum Chemistry

Year:

1987

Language:

english

File:

PDF, 394 KB

english, 1987

39

Preliminary theoretical study of acrylonitrile and its methyl derivatives as monomers for cathodic electropolymerization

G. Hennico, J. Delhalle, E. Younang, M. Defranceschi, G. Lecayon, C. Boiziau

Journal:

International Journal of Quantum Chemistry

Year:

1991

Language:

english

File:

PDF, 915 KB

english, 1991

40

Ab initio study of the influence of aggregation on the infrared spectrum of acetonitrile

Didier Mathieu, Mireille Defranceschi, Joseph Delhalle

Journal:

International Journal of Quantum Chemistry

Year:

1993

Language:

english

File:

PDF, 688 KB

english, 1993

41

Looking at atomic orbitals through fourier and wavelet transforms

Patrick Fischer, Mireille Defranceschi

Journal:

International Journal of Quantum Chemistry

Year:

1993

Language:

english

File:

PDF, 1.09 MB

english, 1993

42

Cluster-size convergence of some physical parameters of bare (Nin) and CH3-Chemisorbed (CH3Nin) nickel (111) clusters: An ab initio study

Christophe Bureau, Mireille Defranceschi, Joseph Delhalle

Journal:

International Journal of Quantum Chemistry

Year:

1993

Language:

english

File:

PDF, 820 KB

english, 1993

43

Variation–iteration method in momentum space: Determination of Hartree–Fock atomic orbitals

Laurent De Windt, Mireille Defranceschi, Joseph Dehalle

Journal:

International Journal of Quantum Chemistry

Year:

1993

Language:

english

File:

PDF, 489 KB

english, 1993

44

Preliminary theoretical study of perfluorodimethyl ether and its protonated form

Michèle Fontaine, Joseph Delhalle, Mireille Defranceschi, Gérard Lécayon, Jacques Boissel

Journal:

International Journal of Quantum Chemistry

Year:

1993

Language:

english

File:

PDF, 527 KB

english, 1993

45

Prospective theoretical and experimental study towards electrochemically grafted poly(N-vinyl-2-pyrrolidone) films on metallic surfaces

E. Younang, E. Léonard-Stibbe, P. Viel, M. Defranceschi, G. Lécayon, J. Delhalle

Journal:

Molecular Engineering

Year:

1992

Language:

english

File:

PDF, 981 KB

english, 1992

46

Electronic structure of Li−and F−calculated directly in momentum space

Laurent De Windt, Mireille Defranceschi, Joseph Delhalle

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1993

Language:

english

File:

PDF, 511 KB

english, 1993

47

Limits of nonlinear Dirichlet problems in varying domains

Gianni Dal Maso, Anneliese Defranceschi

Journal:

manuscripta mathematica

Year:

1988

Language:

english

File:

PDF, 1.03 MB

english, 1988

48

Molecular Hartree-Fock equations for iteration-variation calculations in momentum space

Patrick Fischer, Mireille Defranceschi, Joseph Delhalle

Journal:

Numerische Mathematik

Year:

1992

Language:

english

File:

PDF, 642 KB

english, 1992

49

A characterization ofC1-convex sets in Sobolev spaces

Gianni Dal Maso, Anneliese Defranceschi, Enrico Vitali

Journal:

manuscripta mathematica

Year:

1992

Language:

english

File:

PDF, 1.11 MB

english, 1992

50

Homogenization of quasi-linear equations with natural growth terms

Valeria Chiadò Piat, Anneliese Defranceschi

Journal:

manuscripta mathematica

Year:

1990

Language:

english

File:

PDF, 590 KB

english, 1990