S. Malrieu: search on Z-Library

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1

[Mathématiques et Applications] Recueil de Modèles Aléatoires Volume 78 || Problème du Voyageur de Commerce

Chafai, Djalil, Malrieu, Florent

Year:

2016

Language:

french

File:

PDF, 1.67 MB

french, 2016

2

Magnetic Interactions in Molecules and Highly Correlated Materials: Physical Content, Analytical Derivation, and Rigorous Extraction of Magnetic Hamiltonians

Malrieu, Jean Paul, Caballol, Rosa, Calzado, Carmen J., de Graaf, Coen, Guihéry, Nathalie

Journal:

Chemical Reviews

Year:

2014

Language:

english

File:

PDF, 7.61 MB

english, 2014

3

Les genres de la parole || Linguistique de corpus, genres textuels, temps et personnes

Journal:

Year:

2004

Language:

french

File:

PDF, 1.12 MB

french, 2004

4

Metal-insulator phase transition of phosphorus treated through a magnetic approach

Pellegatti, Alain, Malrieu, Jean-Paul

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 569 KB

english, 1992

5

[Mathématiques et Applications] Recueil de Modèles Aléatoires Volume 78 || Ruine d’une compagnie d’assurance

Chafai, Djalil, Malrieu, Florent

Year:

2016

Language:

french

File:

PDF, 1.57 MB

french, 2016

6

On fine properties of mixtures with respect to concentration of measure and Sobolev type inequalities

Chafaï, Djalil, Malrieu, Florent

Journal:

Annales de l'Institut Henri Poincare (B) Probability and Statistics

Year:

2010

File:

PDF, 331 KB

2010

7

Origin of the conical intersection between the singlet ionic excited surfaces of twisted ethylene

Padeleimon Karafiloglou, Jean-Paul Malrieu

Journal:

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

Year:

1985

Language:

english

File:

PDF, 493 KB

english, 1985

8

Polyazacetylene: Metallic conductor versus Mott insulator

de Loth, Philippe, Malrieu, Jean-Paul, Maynau, Daniel

Journal:

Physical Review B

Year:

1987

Language:

english

File:

PDF, 131 KB

english, 1987

9

From quinoidal to diradical structure in substituted n-para-xylylene (n = 1, 2, 3) molecules. A Heisenberg Hamiltonian study

Nathalie Guihery, Daniel Maynau, Jean-Paul Malrieu

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 562 KB

english, 1996

10

Spin decontamination of broken-symmetry density functional theory calculations: deeper insight and new formulations

Ferré, Nicolas, Guihéry, Nathalie, Malrieu, Jean-Paul

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 965 KB

english, 2015

11

Can a Topological Approach Predict Spin-Symmetry Breaking in Conjugated Hydrocarbons?

Malrieu, Jean-Paul, Trinquier, Georges

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 558 KB

english, 2016

12

Quantitative ergodicity for some switched dynamical systems

Benaïm, Michel, Le Borgne, Stéphane, Malrieu, Florent, Zitt, Pierre-André

Journal:

Electronic Communications in Probability

Year:

2012

Language:

english

File:

PDF, 280 KB

english, 2012

13

QUANTUM CHEMICAL STUDIES OF CHARGE-TRANSFER COMPLEXES OF INDOLES

Green, J. P., Malrieu, J. P.

Journal:

Proceedings of the National Academy of Sciences

Year:

1965

Language:

english

File:

PDF, 740 KB

english, 1965

14

Direct generation of local orbitals for multireference treatment and subsequent uses for the calculation of the correlation energy

Maynau, Daniel, Evangelisti, Stefano, Guihéry, Nathalie, Calzado, Carmen J., Malrieu, Jean-Paul

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 369 KB

english, 2002

15

Effects of complex life cycles on genetic diversity: cyclical parthenogenesis

Rouger, R, Reichel, K, Malrieu, F, Masson, J P, Stoeckel, S

Journal:

Year:

2016

Language:

english

File:

PDF, 3.30 MB

english, 2016

16

The “Fermi hole” and the correlation introduced by the symmetrization or the anti-symmetrization of the wave function

Giner, Emmanuel, Tenti, Lorenzo, Angeli, Celestino, Malrieu, Jean-Paul

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 4.79 MB

english, 2016

17

Approximate solutions of Heisenberg Hamiltonians

J. Sanchez-Marin, J. P. Malrieu, D. Maynau

Journal:

International Journal of Quantum Chemistry

Year:

1987

Language:

english

File:

PDF, 1.08 MB

english, 1987

18

Remarks on the Proper Use of the Broken Symmetry Approach to Magnetic Coupling

Caballol, R., Castell, O., Illas, F., de P. R. Moreira, I., Malrieu, J. P.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 129 KB

english, 1997

19

Ab initio correlation corrections to the Hartree-Fock quasi band-structure of periodic systems employing Wannier-type orbitals

Martin Albrecht, Peter Reinhardt, Jean-Paul Malrieu

Journal:

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

Year:

1998

Language:

english

File:

PDF, 303 KB

english, 1998

20

[Mathématiques et Applications] Recueil de Modèles Aléatoires Volume 78 ||

Chafai, Djalil, Malrieu, Florent

Year:

2016

Language:

french

File:

PDF, 4.41 MB

french, 2016

21

Quantum Chemical Studies of Charge-Transfer Complexes of Indoles

Jack Peter Green and J. P. Malrieu

Journal:

Proceedings of the National Academy of Sciences

Year:

1965

Language:

english

File:

PDF, 233 KB

english, 1965

22

Magnetic model for alkali and noble metals: From diatoms to the solid state

Malrieu, J. P., Maynau, D., Daudey, J. P.

Journal:

Physical Review B

Year:

1984

Language:

english

File:

PDF, 929 KB

english, 1984

23

Probabilistic approach for granular media equations in the non-uniformly convex case

P. Cattiaux, A. Guillin, F. Malrieu

Journal:

Probability Theory and Related Fields

Year:

2008

Language:

english

File:

PDF, 290 KB

english, 2008

24

Physical analysis of the through-ligand long-distance magnetic coupling: spin-polarization versus Anderson mechanism

Terencio, T., Bastardis, R., Suaud, N., Maynau, D., Bonvoisin, J., Malrieu, J. P., Calzado, C. J., Guihéry, N.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.27 MB

english, 2011

25

Localized orbitals in nonmetallic ring systems

P. Reinhardt, J.-P. Malrieu, À. Povill, J. Rubio

Journal:

International Journal of Quantum Chemistry

Year:

1998

Language:

english

File:

PDF, 296 KB

english, 1998

26

Local orbitals for quasi-degenerate systems

Stefano Evangelisti, Nathalie Guihéry, Thierry Leininger, Jean-Paul Malrieu, Daniel Maynau, José-Vicente Pitarch Ruiz, Nicolas Suaud, Celestino Angeli, Renzo Cimiraglia, Carmen J. Calzado

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 486 KB

english, 2004

27

Trend to equilibrium and particle approximation for a weakly selfconsistent Vlasov-Fokker-Planck equation

Bolley, François, Guillin, Arnaud, Malrieu, Florent

Journal:

ESAIM Mathematical Modelling and Numerical Analysis

Year:

2010

Language:

english

File:

PDF, 270 KB

english, 2010

28

Singly Occupied MOs in Mono- and Diradical Conjugated Hydrocarbons: Comparison between Variational Single-Reference, π-Fully Correlated and Hückel Descriptions

Suaud, Nicolas, Ruamps, Renaud, Malrieu, Jean-Paul, Guihéry, Nathalie

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.17 MB

english, 2014

29

Direct determination of localized Hartree–Fock orbitals as a step toward N scaling procedures

Rubio, Jaime, Povill, Angels, Malrieu, Jean Paul, Reinhardt, Peter

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 389 KB

english, 1997

30

Strongly localized approaches for delocalized systems. I. Ground state of linear polyenes

Tenti, Lorenzo, Giner, Emmanuel, Malrieu, Jean-Paul, Angeli, Celestino

Journal:

Computational and Theoretical Chemistry

Year:

2017

Language:

english

File:

PDF, 841 KB

english, 2017

31

Simulation vs Understanding A Tension, in Quantum Chemistry and Beyond. PART B The March of Simulation, for Better or Worse

Hoffmann, Roald, Malrieu, Jean-Paul

Journal:

Angewandte Chemie International Edition

Year:

2019

Language:

english

File:

PDF, 3.99 MB

english, 2019

32

Dimerization of polyacetylene treated as a spin-Peierls distortion of the Heisenberg Hamiltonian

Garcia-Bach, M. A., Blaise, P., Malrieu, J.-P.

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 355 KB

english, 1992

33

Non-orthogonal and orthogonal valence bond wavefunctions in the hydrogen molecule: the diabatic view

Angeli, Celestino, Cimiraglia, Renzo, Malrieu, Jean-Paul

Journal:

Molecular Physics

Year:

2013

Language:

english

File:

PDF, 278 KB

english, 2013

34

The Møller–Plesset perturbation revisited: origin of high-order divergences

Malrieu, Jean-Paul, Angeli, Celestino

Journal:

Molecular Physics

Year:

2013

Language:

english

File:

PDF, 122 KB

english, 2013

35

Specific CI calculation of energy differences: Transition energies and bond energies

Josefa Miralles, Oscar Castell, Rosa Caballol, Jean-Paul Malrieu

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 925 KB

english, 1993

36

Qualitative properties of certain piecewise deterministic Markov processes

Benaïm, Michel, Le Borgne, Stéphane, Malrieu, Florent, Zitt, Pierre-André

Journal:

Annales de l'Institut Henri Poincare (B) Probability and Statistics

Year:

2015

File:

PDF, 663 KB

2015

37

Proposal of multi-root multi-reference coupled cluster formalisms

Malrieu, Jean-Paul

Journal:

Molecular Physics

Year:

2013

Language:

english

File:

PDF, 232 KB

english, 2013

38

Toward a magnetic description of metals in terms of interstitial molecular orbitals. II. One-dimensional infinite system: The lithium chain

Lepetit, M. B., Aprà, E., Malrieu, J. P., Dovesi, R.

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 367 KB

english, 1992

39

Convergence to Equilibrium for Granular Media Equations and Their Euler Schemes

Florent Malrieu

Journal:

The Annals of Applied Probability

Year:

2003

Language:

english

File:

PDF, 523 KB

english, 2003

40

The Use of Perturbation Methods for the Study of the Effects of Configuration Interaction

CLAVERIE, P., DINER, S., MALRIEU, J. P.

Journal:

International Journal of Quantum Chemistry

Year:

1967

Language:

english

File:

PDF, 1.28 MB

english, 1967

41

Probabilistic and Piecewise Deterministic models in Biology

Cloez, Bertrand, Dessalles, Renaud, Genadot, Alexandre, Malrieu, Florent, Marguet, Aline, Yvinec, Romain, Coeurjolly, Jean-François, Leclercq-Samson, Adeline

Journal:

ESAIM: Proceedings and Surveys

Year:

2017

File:

PDF, 967 KB

2017

42

Derivation of spin Hamiltonians from the exact Hamiltonian: Application to systems with two unpaired electrons per magnetic site

Moreira, I. de P. R., Suaud, N., Guihéry, N., Malrieu, J. P., Caballol, R., Bofill, J. M., Illas, F.

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 184 KB

english, 2002

43

Functional inequalities for Gaussian convolutions of compactly supported measures: Explicit bounds and dimension dependence

Bardet, Jean-Baptiste, Gozlan, Nathaël, Malrieu, Florent, Zitt, Pierre-André

Journal:

Year:

2018

Language:

english

File:

PDF, 194 KB

english, 2018

44

Size-consistent self-consistent combination of selected CI and perturbation theory

J. Meller, J.L. Heully, J.P. Malrieu

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 642 KB

english, 1994

45

Cl investigations on the AlN molecule

M Pelissier, J.P Malrieu

Journal:

Journal of Molecular Spectroscopy

Year:

1979

Language:

english

File:

PDF, 349 KB

english, 1979

46

Comparison between explicitly correlated and density functional theory calculations in mixed-valence model systems

Carmen J. Calzado, Jean-Paul Malrieu

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 158 KB

english, 2000

47

Extension of the PCILO-method to the localized free radicals

Jacqueline Langlet, Marcel Gilbert, Jean -Paul Malrieu

Journal:

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

Year:

1971

Language:

english

File:

PDF, 459 KB

english, 1971

48

Further investigations about the zwitterionic excited states of twisted conjugated molecules

Jean-Paul Malrieu, Georges Trinquier

Journal:

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

Year:

1979

Language:

english

File:

PDF, 706 KB

english, 1979

49

Spin-adapted multipartitioning perturbation theory

Andréi Zaitsevskii, Jean-Paul Malrieu

Journal:

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

Year:

1997

Language:

english

File:

PDF, 431 KB

english, 1997

50

A Strategy to Determine Appropriate Active Orbitals and Accurate Magnetic Couplings in Organic Magnetic Systems

Suaud, Nicolas, Ruamps, Renaud, Guihéry, Nathalie, Malrieu, Jean-Paul

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 2.27 MB

english, 2012

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