-
3
-
-
33744617485
-
Theory of magnetic exchange interaction: Exchange in insulators and semiconductors
-
Seitz, F., Turnbull, D., Eds.; Academic Press: New York
-
Anderson, P. W. Theory of magnetic exchange interaction: Exchange in insulators and semiconductors; In Solid State Physics; Seitz, F., Turnbull, D., Eds.; Academic Press: New York, 1963; Vol. 14, pp. 99-214.
-
(1963)
Solid State Physics
, vol.14
, pp. 99-214
-
-
Anderson, P.W.1
-
4
-
-
0000818145
-
Ab initio determination of exchange integrals and Néel temperature in the chain cuprates
-
van Oosten, A. B.; Mila, F. Ab initio determination of exchange integrals and Néel temperature in the chain cuprates. Chem. Phys. Lett. 1998, 295, 359-365.
-
(1998)
Chem. Phys. Lett.
, vol.295
, pp. 359-365
-
-
Van Oosten, A.B.1
Mila, F.2
-
5
-
-
0542375706
-
Superexchange interactions in cuprates
-
Mizuno, Y.; Tohyama, T.; Maekawa, S. Superexchange interactions in cuprates. Phys. Rev. B. 1998, 58, 14713-14716.
-
(1998)
Phys. Rev. B
, vol.58
, pp. 14713-14716
-
-
Mizuno, Y.1
Tohyama, T.2
Maekawa, S.3
-
6
-
-
0000512254
-
Dynamics of the one dimensional Heisenberg model and optical absorption of spinons in cuprate antiferromagnetic chains
-
Lorenzana, J.; Eder, R. Dynamics of the one dimensional Heisenberg model and optical absorption of spinons in cuprate antiferromagnetic chains. Phys. Rev. B. 1997, 55, 3358-3359.
-
(1997)
Phys. Rev. B
, vol.55
, pp. 3358-3359
-
-
Lorenzana, J.1
Eder, R.2
-
10
-
-
0025433329
-
2
-
2. Solid Sate Comm. 1990, 74, 779-784.
-
(1990)
Solid Sate Comm.
, vol.74
, pp. 779-784
-
-
Sapiña, F.1
Rodríguez-Carvajal, J.2
Sanchis, M.J.3
Ibáñez, R.4
Beltrán, A.5
Beltrán, D.6
-
11
-
-
0001158718
-
Electronic states and magnetic properties of edge-sharing Cu - O chains
-
Mizuno, Y.; Tohyama, T.; Maekawa, S.; Osafune, T.; Motoyama, N.; Eisaki, H.; Uchida, S. Electronic states and magnetic properties of edge-sharing Cu - O chains. Phys. Rev. B. 1998, 57, 5326-5335.
-
(1998)
Phys. Rev. B
, vol.57
, pp. 5326-5335
-
-
Mizuno, Y.1
Tohyama, T.2
Maekawa, S.3
Osafune, T.4
Motoyama, N.5
Eisaki, H.6
Uchida, S.7
-
12
-
-
0032122486
-
2
-
2. Europhys. Lett. 1998, 43, 77-82.
-
(1998)
Europhys. Lett.
, vol.43
, pp. 77-82
-
-
Boehm, M.1
Coad, S.2
Roessli, B.3
Zheludev, A.4
Zolliker, M.5
Böni, P.6
Paul, D.M.7
Eisaki, H.8
Motoyama, N.9
Uchida, S.10
-
14
-
-
0011744621
-
The local character of magnetic coupling in ionic solids
-
de P. R. Moreira, I.; Illas, F.; Calzado, C. J.; Sanz, J. F.; Malrieu, J.-P.; Ben Amor, N.; Maynau, D. The Local Character of Magnetic Coupling in Ionic Solids. Phys. Rev. B. 1999, 59, 6593-6596.
-
(1999)
Phys. Rev. B
, vol.59
, pp. 6593-6596
-
-
Moreira, I.D.P.R.1
Illas, F.2
Calzado, C.J.3
Sanz, J.F.4
Malrieu, J.-P.5
Ben Amor, N.6
Maynau, D.7
-
16
-
-
0040808957
-
Magnetic coupling in biradicals, binuclear complexes and wide gap insulators: A survey of ab initio Wave Function and Density Functional Theory approaches
-
Illas, F.; de P. R. Moreira, I.; de Graaf, C.; Barone, V. Magnetic coupling in biradicals, binuclear complexes and wide gap insulators: A survey of ab initio Wave Function and Density Functional Theory approaches. Theor. Chem. Acc. 2000, 104, 265-272.
-
(2000)
Theor. Chem. Acc.
, vol.104
, pp. 265-272
-
-
Illas, F.1
Moreira, I.D.P.R.2
De Graaf, C.3
Barone, V.4
-
18
-
-
4243540796
-
Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions
-
Pou-Amérigo, R.; Merchán, M.; Nebot-Gil, I.; Widmark, P.-O.; Roos, B.O. Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions. Theor. Chim. Acta. 1995, 92, 149-181.
-
(1995)
Theor. Chim. Acta
, vol.92
, pp. 149-181
-
-
Pou-Amérigo, R.1
Merchán, M.2
Nebot-Gil, I.3
Widmark, P.-O.4
Roos, B.O.5
-
19
-
-
0042106817
-
Density matrix averaged atomic natural orbitals (ANO) basis sets for correlated molecular wave functions. I First row atoms
-
Widmark, P.-O.; Malmqvist, P.-Å.; Roos, B.O. Density matrix averaged atomic natural orbitals (ANO) basis sets for correlated molecular wave functions. I First row atoms. Theor. Chim. Acta. 1990, 77, 291-306.
-
(1990)
Theor. Chim. Acta
, vol.77
, pp. 291-306
-
-
Widmark, P.-O.1
Malmqvist, P.-Å.2
Roos, B.O.3
-
20
-
-
0001535263
-
Cancellations occurring in the calculation of transition energies by a perturbation development of Configuration Interaction Matrices
-
Malrieu, J.-P. Cancellations occurring in the calculation of transition energies by a perturbation development of Configuration Interaction Matrices. J. Chem. Phys. 1967, 47, 4555-4558.
-
(1967)
J. Chem. Phys.
, vol.47
, pp. 4555-4558
-
-
Malrieu, J.-P.1
-
21
-
-
21144475961
-
Specific CI calculation of energy differences: Transition energies and bond energies
-
Miralles, J.; Castell, O.; Caballol, R.; Malrieu, J.-P. Specific CI calculation of energy differences: transition energies and bond energies. Chem. Phys. 1993, 172, 33-43.
-
(1993)
Chem. Phys.
, vol.172
, pp. 33-43
-
-
Miralles, J.1
Castell, O.2
Caballol, R.3
Malrieu, J.-P.4
-
22
-
-
0013004607
-
Second-Order perturbation theory with a CASSCF reference function
-
Andersson, K.; Malmqvist, P.-Å.; Roos, B. O.; Sadlej, A. J.; Wolinski, K. Second-Order Perturbation Theory with a CASSCF Reference Function. J. Phys. Chem. 1990, 94, 5483-5488.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 5483-5488
-
-
Andersson, K.1
Malmqvist, P.-Å.2
Roos, B.O.3
Sadlej, A.J.4
Wolinski, K.5
-
23
-
-
36448998619
-
Second-Order perturbation theory with a complete active space self-consistent field reference function
-
Andersson, K.; Malmqvist, P.-Å.; Roos, B. O. Second-Order Perturbation Theory with a Complete Active Space Self-Consistent Field Reference Function. J. Chem. Phys. 1992, 96, 1218-1226.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 1218-1226
-
-
Andersson, K.1
Malmqvist, P.-Å.2
Roos, B.O.3
-
24
-
-
0031566410
-
Comparison of the superexchange interaction in NiO and in a NiO [100] surface
-
de Graaf, C.; Broer, R.; Nieuwpoort, W. C. Comparison of the superexchange interaction in NiO and in a NiO [100] surface. Chem. Phys. Lett. 1997, 271, 372-376.
-
(1997)
Chem. Phys. Lett.
, vol.271
, pp. 372-376
-
-
De Graaf, C.1
Broer, R.2
Nieuwpoort, W.C.3
-
25
-
-
3242769649
-
Magnetic interactions in biradicals, molecular complexes and ionic insulators: A comparison of the Difference Dedicated CI and CASPT2 methods
-
de Graaf, C.; Sousa, C.; Illas, F.; de P. R. Moreira, I. Magnetic interactions in biradicals, molecular complexes and ionic insulators: A comparison of the Difference Dedicated CI and CASPT2 methods. Work in progress. 2000.
-
(2000)
Work in Progress
-
-
De Graaf, C.1
Sousa, C.2
Illas, F.3
Moreira, I.D.P.R.4
-
26
-
-
0003392598
-
-
University of Lund, Sweden
-
Andersson, K.; Blomberg, M. R. A.; Fülscher, M. P.; Karlström, G.; Lindh, R.; Malmqvist, P.-Å.; Neogrády, P.; Olsen, J.; Roos, B. O.; Sadlej, A. J.; Schütz, M.; Seijo, L.; Serrano-Andrés, L.; Siegbahn, P. E. M.; Widmark, P.-O. MOLCAS version 4, University of Lund, Sweden, 1997.
-
(1997)
MOLCAS Version 4
-
-
Andersson, K.1
Blomberg, M.R.A.2
Fülscher, M.P.3
Karlström, G.4
Lindh, R.5
Malmqvist, P.-Å.6
Neogrády, P.7
Olsen, J.8
Roos, B.O.9
Sadlej, A.J.10
Schütz, M.11
Seijo, L.12
Serrano-Andrés, L.13
Siegbahn, P.E.M.14
Widmark, P.-O.15
-
28
-
-
0000015595
-
Absence of collective effects in Heisenberg systems with localized magnetic moments
-
Illas, F.; de P. R. Moreira, I.; de Graaf, C.; Castell, O.; Casanovas, J. Absence of collective effects in Heisenberg systems with localized magnetic moments. Phys. Rev. B. 1997, 56, 5069-5072.
-
(1997)
Phys. Rev. B
, vol.56
, pp. 5069-5072
-
-
Illas, F.1
Moreira, I.D.P.R.2
De Graaf, C.3
Castell, O.4
Casanovas, J.5
-
29
-
-
17044459674
-
Magnetism of one-dimensional copper oxides related to HTSC
-
Okuda, K.; Noguchi, S.; Konishi, K.; Deguchi, H.; Takeda, K. Magnetism of one-dimensional copper oxides related to HTSC. J. Magn. Magn. Mat. 1992, 104-107, 817-818.
-
(1992)
J. Magn. Magn. Mat.
, vol.104-107
, pp. 817-818
-
-
Okuda, K.1
Noguchi, S.2
Konishi, K.3
Deguchi, H.4
Takeda, K.5
-
30
-
-
0042106860
-
Antiferromagnetic exchange interactions from hybrid density functional theory
-
Martin, R. L.; Illas, F. Antiferromagnetic Exchange Interactions from Hybrid Density Functional Theory. Phys. Rev. Lett. 1997, 79, 1539-1542.
-
(1997)
Phys. Rev. Lett.
, vol.79
, pp. 1539-1542
-
-
Martin, R.L.1
Illas, F.2
|