Introduction of n -electron valence states for multireference perturbation theory von Angeli, C., Cimiraglia, R., Evangelisti, S., Leininger, T., Malrieu, J.-P.

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Orthogonal Valence Bond Hamiltonians incorporating dynamical correlation effects von Giner, E., Angeli, C., Scemama, A., Malrieu, J.-P.

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Determination of spin Hamiltonians from projected single reference configuration interaction calculations. I. Spin 1/2 systems von Monari, A., Maynau, D., Malrieu, J.-P.

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Comment on “About the calculation of exchange coupling constants using density-functional theory: The role of the self-interaction error” [J. Chem. Phys. 123, 164110 (2005)] von Adamo, C., Barone, V., Bencini, A., Broer, R., Filatov, M., Harrison, N. M., Illas, F., Malrieu, J. P., de P. R. Moreira, I.

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Remarks on the Proper Use of the Broken Symmetry Approach to Magnetic Coupling von Caballol, R, Castell, O, Illas, F, de P. R. Moreira, I, Malrieu, J. P

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Physical analysis of the through-ligand long-distance magnetic coupling: spin-polarization versus Anderson mechanism von TERENCIO, T, BASTARDIS, R, SUAUD, N, MAYNAU, D, BONVOISIN, J, MALRIEU, J. P, CALZADO, C. J, GUIHERY, N

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A local contracted treatment of single and double excitations von Reinhardt, P., Zhang, H., Ma, J., Malrieu, J.-P.

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A simple approach to the state-specific MR-CC using the intermediate Hamiltonian formalism von Giner, E., David, G., Scemama, A., Malrieu, J. P.

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Parity law of the singlet-triplet gap in graphitic ribbons von AL HAJJ, M, ALET, F, CAPPONI, S, LEPETIT, M. B, MALRIEU, J.-P, TODO, S

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Real space renormalization group with effective interactions: applications to 2-D spin lattices von AL HAJJ, M, GUIHERY, N, MALRIEU, J.-P, BOCQUILLON, B

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Ab initio determination of an extended Heisenberg Hamiltonian in CuO2 layers von CALZADO, C. J, MALRIEU, J.-P

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Perturbatively selected CI as an optimal source for externally corrected CCSD von Peris, G., Planelles, J., Malrieu, J.-P., Paldus, J.

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On the perturbative estimates of the correlation energy from localized orbitals in periodic systems von Reinhardt, P., Malrieu, J.-P.

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Specific CI calculation of energy differences: Transition energies and bond energies von Miralles, Josefa, Castell, Oscar, Caballol, Rosa, Malrieu, Jean-Paul

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n -electron valence state perturbation theory: A spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants von Angeli, Celestino, Cimiraglia, Renzo, Malrieu, Jean-Paul

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Structure and stability of Xe+ n clusters von Amarouche, M., Durand, G., Malrieu, J. P.

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Localized orbitals in nonmetallic ring systems von Reinhardt, P., Malrieu, J.-P., Povill, À., Rubio, J.

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N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant von Angeli, Celestino, Cimiraglia, Renzo, Malrieu, Jean-Paul

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An iterative difference-dedicated configuration interaction. Proposal and test studies von García, V.M., Castell, O., Caballol, R., Malrieu, J.P.

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State-specific coupled cluster-type dressing of multireference singles and doubles configuration interaction matrix von Meller, J., Malrieu, J. P., Caballol, R.

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