EFG calculations for Cu2+ compounds

Hyperfine Interactions

Volumn 176, Issue 1-3, 2007, Pages 9-13

  Haas, H ^a   Correia, J G ^a,b  

^a CERN   (Switzerland)

^b Instituto Tecnologico e Nulear   (Portugal)

Author keywords

Cuprates; Density functional calculations; Electric field gradients

Indexed keywords

EID: 52349121332     PISSN: 03043843     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10751-008-9610-3     Document Type: Conference Paper

References (9)

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7. 2 from the B3LYP hybrid density functional Phys. Rev. B 69 132502
8. P. Blaha K. Schwarz P. Novak 2004 Electric field gradients in cuprates: does LDA+U give the correct charge distribution? Int. J. Quantum Chem. 101 550
9. 7 Physica C 157 561