Index
A
Anderson model, 67
Anisotropic exchange, 95
anti-symmetric, 98
biquadratic, 101
symmetric, 95
Anisotropic interaction, 69
Antisymmetrization operator, 2
Axial magnetic anisotropy (D), 41, 52, 98
B
Band structure, 193, 197
Bilinear exchange, 94, 159
Bilinear operator, 87, 92, 93
Biorthogonal, 29, 154
Biquadratic exchange, 88, 90, 102, 159, 166,
168, 171, 175, 193
Biquadratic exchange operator, 89
Bleaney-Bowers equation, 77
Bloch equation, 29, 72, 155
Bloch function, 193, 196, 207
Boltzmann distribution, 44
Bonner-Fisher equation, 78
Bottom-up approach, 79
Branching diagram, 13, 17
Brillouin theorem, 128, 148, 149, 151, 155,
158, 164
Broken symmetry approach, 131, 138
Broken symmetry determinant, 135, 157,
168
C
Complete active space, 121, 127, 142, 161
CAS+S, 127, 164
CASCI, 61, 147, 174
CASPT2, see perturbation theory
CASSCF, 68, 128, 141
Configuration interaction, 63
Configuration state function, 61, 161, 163,
165, 174, 186
Constrained DFT, 137
Coulomb integral, 5, 31, 63, 161, 184
Coulomb interaction, 167, 191
Coulomb repulsion, 191
Counter-complementarity, 118, 138
Coupled cluster, 137
Covalent lattices, 190
Curie law, 46
Curie-Weiss law, 46
D
Density functional theory (DFT), 74, 135,
171, 174, 192
Des Cloizeaux orthogonalization, 30
Difference dedicated CI (DDCI), 123, 141,
159
CAS+S, see complete active space
DDCI1, 127
DDCI2, 126
Dirac equation, 36
Direct exchange, 65–67, 107, 110, 143, 144,
148, 150, 155–157, 198
Doped systems, 177
Double exchange, 182, 183, 187, 211
Anderson-Hasegawa model, 187
Girerd-Papaefthimiou model, 186
Zener model, 182
Dtensor,41, 52, 54
© Springer International Publishing Switzerland 2016
C. Graaf and R. Broer, Magnetic Interactions in Molecules and Solids,
Theoretical Chemistry and Computational Modelling,
DOI 10.1007/978-3-319-22951-5
243
A
Anderson model, 67
Anisotropic exchange, 95
anti-symmetric, 98
biquadratic, 101
symmetric, 95
Anisotropic interaction, 69
Antisymmetrization operator, 2
Axial magnetic anisotropy (D), 41, 52, 98
B
Band structure, 193, 197
Bilinear exchange, 94, 159
Bilinear operator, 87, 92, 93
Biorthogonal, 29, 154
Biquadratic exchange, 88, 90, 102, 159, 166,
168, 171, 175, 193
Biquadratic exchange operator, 89
Bleaney-Bowers equation, 77
Bloch equation, 29, 72, 155
Bloch function, 193, 196, 207
Boltzmann distribution, 44
Bonner-Fisher equation, 78
Bottom-up approach, 79
Branching diagram, 13, 17
Brillouin theorem, 128, 148, 149, 151, 155,
158, 164
Broken symmetry approach, 131, 138
Broken symmetry determinant, 135, 157,
168
C
Complete active space, 121, 127, 142, 161
CAS+S, 127, 164
CASCI, 61, 147, 174
CASPT2, see perturbation theory
CASSCF, 68, 128, 141
Configuration interaction, 63
Configuration state function, 61, 161, 163,
165, 174, 186
Constrained DFT, 137
Coulomb integral, 5, 31, 63, 161, 184
Coulomb interaction, 167, 191
Coulomb repulsion, 191
Counter-complementarity, 118, 138
Coupled cluster, 137
Covalent lattices, 190
Curie law, 46
Curie-Weiss law, 46
D
Density functional theory (DFT), 74, 135,
171, 174, 192
Des Cloizeaux orthogonalization, 30
Difference dedicated CI (DDCI), 123, 141,
159
CAS+S, see complete active space
DDCI1, 127
DDCI2, 126
Dirac equation, 36
Direct exchange, 65–67, 107, 110, 143, 144,
148, 150, 155–157, 198
Doped systems, 177
Double exchange, 182, 183, 187, 211
Anderson-Hasegawa model, 187
Girerd-Papaefthimiou model, 186
Zener model, 182
Dtensor,41, 52, 54
© Springer International Publishing Switzerland 2016
C. Graaf and R. Broer, Magnetic Interactions in Molecules and Solids,
Theoretical Chemistry and Computational Modelling,
DOI 10.1007/978-3-319-22951-5
243