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Mallia, G., Orlando, R., Roetti, C., Ugliengo, P., Dovesi, R. (2001) Fcenter in LiF: A quantum mechanicalab initioinvestigation of the hyperfine interaction between the unpaired electron at the vacancy and its first seven neighbors. Physical Review B, 63 (23) doi:10.1103/physrevb.63.235102

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Reference TypeJournal (article/letter/editorial)
TitleFcenter in LiF: A quantum mechanicalab initioinvestigation of the hyperfine interaction between the unpaired electron at the vacancy and its first seven neighbors
JournalPhysical Review B
AuthorsMallia, G.Author
Orlando, R.Author
Roetti, C.Author
Ugliengo, P.Author
Dovesi, R.Author
Year2001 (May 10)Volume63
Issue23
PublisherAmerican Physical Society (APS)
DOIdoi:10.1103/physrevb.63.235102Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID14156976Long-form Identifiermindat:1:5:14156976:7
GUID0
Full ReferenceMallia, G., Orlando, R., Roetti, C., Ugliengo, P., Dovesi, R. (2001) Fcenter in LiF: A quantum mechanicalab initioinvestigation of the hyperfine interaction between the unpaired electron at the vacancy and its first seven neighbors. Physical Review B, 63 (23) doi:10.1103/physrevb.63.235102
Plain TextMallia, G., Orlando, R., Roetti, C., Ugliengo, P., Dovesi, R. (2001) Fcenter in LiF: A quantum mechanicalab initioinvestigation of the hyperfine interaction between the unpaired electron at the vacancy and its first seven neighbors. Physical Review B, 63 (23) doi:10.1103/physrevb.63.235102
In(2001, May) Physical Review B Vol. 63 (23) American Physical Society (APS)

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Baranek, Ph., Zicovich-Wilson, C. M., Roetti, C., Orlando, R., Dovesi, R. (2001) Well localized crystalline orbitals obtained from Bloch functions: The case ofKNbO3. Physical Review B, 64 (12) doi:10.1103/physrevb.64.125102
Dovesi, R., Orlando, R., Roetti, C., Pisani, C., Saunders, V.R. (2000) The Periodic Hartree-Fock Method and Its Implementation in the Crystal Code. physica status solidi (b), 217 (1). 63-88 doi:10.1002/(sici)1521-3951(200001)217:1<63::aid-pssb63>3.0.co;2-f
Causa, M., Dovesi, R., Pisani, C., Roetti, C. (1985) Ab initiostudy of the autocorrelation function for lithium nitride. Physical Review B, 32 (2) 1196-1202 doi:10.1103/physrevb.32.1196
Ricart, J. M., Dovesi, R., Roetti, C., Saunders, V. R. (1995) Electronic and magnetic structure ofKNiF3perovskite. Physical Review B, 52 (4) 2381-2389 doi:10.1103/physrevb.52.2381
Orlando, Roberto, Dovesi, Roberto, Ugliengo, Piero, Roetti, Carla, Saunders, Victor R. (1999) A quantum mechanical periodic ab initio approach to materials science: the CRYSTAL program. International Journal of Inorganic Materials, 1 (2) 147-155 doi:10.1016/s1466-6049(99)00023-9
de P. R. Moreira, Ibério, Dovesi, Roberto, Roetti, Carla, Saunders, Victor R., Orlando, Roberto (2000) Ab initiostudy ofMF2(M=Mn,Fe,Co,Ni)rutile-type compounds using the periodic unrestricted Hartree-Fock approach. Physical Review B, 62 (12) 7816-7823 doi:10.1103/physrevb.62.7816
Orlando, R., Civalleri, B., Dovesi, R., Ugliengo, P. (2005) Ab-initioquantum-mechanical calculation of electron charge-density in crystals. Acta Crystallographica Section A Foundations of Crystallography, 61. doi:10.1107/s0108767305098016
Catti, M., Pavese, A., Dovesi, R., Roetti, C., Causà, M. (1991) Quantum-mechanical Hartree-Fock self-consistent-field study of the elastic constants and chemical bonding ofMgF2(sellaite) Physical Review B, 44 (8) 3509-3517 doi:10.1103/physrevb.44.3509
Dovesi, R., Pisani, C., Roetti, C., Saunders, V. R. (1983) Treatment of Coulomb interactions in Hartree-Fock calculations of periodic systems. Physical Review B, 28 (10) 5781-5792 doi:10.1103/physrevb.28.5781
Dovesi, R., Pisani, C., Ricca, F., Roetti, C., Saunders, V. R. (1984) Hartree-Fock study of crystalline lithium nitride. Physical Review B, 30 (2) 972-979 doi:10.1103/physrevb.30.972
Orlando, R., Civalleri, B., Dovesi, R., Roetti, C. (2008) Advances in quantumab initiocalculations with theCRYSTALcode. Acta Crystallographica Section A Foundations of Crystallography, 64. doi:10.1107/s0108767308097742
 
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