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

Volltext

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

Volltext

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

Volltext

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.

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

Treatment of core-valence correlation effects through difference-dedicated configuration interaction: Application to the lowest electronic states of K, Rb, KH, RbH, and K2 von Garcı́a, V. M., Caballol, R., Malrieu, J. P.

Volltext

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

Volltext

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

Volltext