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Rivero, Pablo, Moreira, Ibério de P. R., Scuseria, Gustavo E., Illas, Francesc (2009) Description of magnetic interactions in strongly correlated solids via range-separated hybrid functionals. Physical Review B, 79 (24) doi:10.1103/physrevb.79.245129

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Reference TypeJournal (article/letter/editorial)
TitleDescription of magnetic interactions in strongly correlated solids via range-separated hybrid functionals
JournalPhysical Review B
AuthorsRivero, PabloAuthor
Moreira, Ibério de P. R.Author
Scuseria, Gustavo E.Author
Illas, FrancescAuthor
Year2009 (June 25)Volume79
Issue24
PublisherAmerican Physical Society (APS)
DOIdoi:10.1103/physrevb.79.245129Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID14202202Long-form Identifiermindat:1:5:14202202:5
GUID0
Full ReferenceRivero, Pablo, Moreira, Ibério de P. R., Scuseria, Gustavo E., Illas, Francesc (2009) Description of magnetic interactions in strongly correlated solids via range-separated hybrid functionals. Physical Review B, 79 (24) doi:10.1103/physrevb.79.245129
Plain TextRivero, Pablo, Moreira, Ibério de P. R., Scuseria, Gustavo E., Illas, Francesc (2009) Description of magnetic interactions in strongly correlated solids via range-separated hybrid functionals. Physical Review B, 79 (24) doi:10.1103/physrevb.79.245129
In(2009, June) Physical Review B Vol. 79 (24) American Physical Society (APS)

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Rivero, Pablo, Moreira, Ibério de P. R., Illas, Francesc, Scuseria, Gustavo E. (2008) Reliability of range-separated hybrid functionals for describing magnetic coupling in molecular systems. The Journal of Chemical Physics, 129 (18). 184110pp. doi:10.1063/1.3006419
Rivero, Pablo, de P.R. Moreira, Ibério, Illas, Francesc (2010) Electronic structure of single-layered undoped cuprates from hybrid density functional theory. Physical Review B, 81 (20) doi:10.1103/physrevb.81.205123
de Pinho Ribeiro Moreira, Ibério, Illas, Francesc (1999) Ab initiostudy of magnetic interactions inKCuF3andK2CuF4low-dimensional systems. Physical Review B, 60 (8) 5179-5185 doi:10.1103/physrevb.60.5179
de P. R. Moreira, Ibério, Illas, Francesc (1997) Ab initio theoretical comparative study of magnetic coupling inKNiF3sandK2NiF4s. Physical Review B, 55 (7) 4129-4137 doi:10.1103/physrevb.55.4129
de Graaf, Coen, de P. R. Moreira, Ibério, Illas, Francesc, Iglesias, Òscar, Labarta, Amílcar (2002) Magnetic structure ofLi2CuO2: Fromab initiocalculations to macroscopic simulations. Physical Review B, 66 (1) doi:10.1103/physrevb.66.014448
de P. R. Moreira, Ibério, Illas, Francesc, Martin, Richard L. (2002) Effect of Fock exchange on the electronic structure and magnetic coupling in NiO. Physical Review B, 65 (15) doi:10.1103/physrevb.65.155102
Moreira, Ibério de P. R., Illas, Francesc, Calzado, Carmen J., Sanz, Javier F., Malrieu, Jean-Paul, Amor, Nadia Ben, Maynau, Daniel (1999) Local character of magnetic coupling in ionic solids. Physical Review B, 59 (10) doi:10.1103/physrevb.59.r6593
Muñoz, David, de P. R. Moreira, Ibério, Illas, Francesc (2002) Effectivet-Jmodel Hamiltonian parameters of monolayered cuprate superconductors fromab initioelectronic structure calculations. Physical Review B, 65 (22) doi:10.1103/physrevb.65.224521
Moreira, Ibério de P. R., Rivero, Pablo, Illas, Francesc (2011) Electronic structure of HgBa2Can−1CunO2n+2 (n = 1, 2, 3) superconductor parent compounds from periodic hybrid density functional theory. The Journal of Chemical Physics, 134 (7). 74709pp. doi:10.1063/1.3553259
Costa, Ramon, Reta, Daniel, Moreira, Ibério de P. R., Illas, Francesc (2018) Post-B3LYP Functionals Do Not Improve the Description of Magnetic Coupling in Cu(II) Dinuclear Complexes. The Journal of Physical Chemistry A, 122 (13). 3423-3432 doi:10.1021/acs.jpca.7b12663
Rivero, Pablo, de P. R.Moreira, Ibério, Grau-Crespo, Ricardo, Datta, Sambhu N., Illas, Francesc (2013) General model for explicitly hole-doped superconductor parent compounds: Electronic structure of Ca2−xNaxCuO2Cl2as a case study. Physical Review B, 88 (8) doi:10.1103/physrevb.88.085108
 
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