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| Dreizler R.M., Gross E.K.U. — Density Functional Theory: An Approach to the Quantum Many-Body Problem |
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| Предметный указатель |
Local entropy 121
Local field correction 156ff 216 220
Local field correction, compressibility sum rule for 169
Local field correction, Hubbard approximation for 147 149 167 220
Local kinetic energy see “Kinetic energy”
Local spin density approximation see “Spin polarisation or local density approximation”
Local temperature 122
Local thermodynamics 120ff
lonisation potential 23 146 233ff
Lorentz gauge 247
Lower bound functional 136
Magnetic moment density see “Density”
magnetic susceptibility 26
Magnetisation see “Density magnetic
Many-body perturbation theory 139ff
Maxwell — Boltzmann distribution 122
Metal surface, infinite barrier model 99 197
Metal surface, linear potential model 99 224
Molecular Dynamics 244
Momentum density see “Density”
Momentum space 37 196
Monte Carlo results for electron gas 172 179
Muffin-tin approximation 239
Multiplet splitting 34 61 239
N-representability 14
Natural orbitals see “Orbitals”
Negative energy states 251 253
Negative ions 125 183 236
Nonlocal density approximation 175 188ff 230 234 276
Occupation number 51 55 71
Off-diagonal long-range order 39
Optimum potential 145 195
Orbitals, Bloch 195
Orbitals, Dirac 252ff
Orbitals, equidensity 15ff 105
Orbitals, fractionally occupied 52
Orbitals, Hartree — Fock 89 122 230ff
Orbitals, Kohn — Sham 44ff 89 122 194ff 236
Orbitals, natural 47 107
Orbitals, Wannier 194
Order parameter of superconductors 39
Pade approximants 113ff 179ff
Pair correlation function 158ff 172 185 188 191 275
Pair potential 40
Paramagnetic electron gas 172
Parametrisation, of gradient corrections 113ff 219 221 227 229
Parametrisation, of homogeneous electron gas groundstate energy 166 170 176ff
Parametrisation, of local density functional 176ff
Parametrisation, of pair correlation function 191
Partitioning of density 61 112 192
Pauli spin matrix 25
Phase space 120ff
Phonon-induced pairing interaction 41
Photon field, longitudinal 263
Photon field, transverse 245 263
Photon propagator 258 261ff
plasma 31 42
Plasma frequency 145 155 196
Plasmon 178
Plasmon dispersion relation 155ff
Polarisation insertion see also “Lindhard function”
Polarisation insertion, irreducible 140 154 177 198 202 205 210 214
Polarisation insertion, reducible 154 202 210 222
Polarisation insertion, relativistic 262ff
Polarisation vector 255
proximity effect 40 73
Quantum electrodynamics 139 245 257
Quantum electrodynamics, commutator form 246
Quantum electrodynamics, Hamiltonian of 255
Quantum electrodynamics, Langrange density of 245
Quantum electrodynamics, renormalisation of 249ff
Quasiparticle excitation 32 71 148
Radial distribution function 159
Random phase approximation see “Ring approximation”
Reactivity index 24
Relativistic density functional theory 245ff
Relativistic Hamiltonian 245
Renormalisation 246 249ff
Renormalisation, charge 255 259
Renormalisation, mass 257 259
Response equation 154
Resummation, partial, of groundstate energy perturbation theory 163
Resummation, partial, of noninteracting kinetic energy functional 91ff 95 106 204
Resummation, partial, of semiclassical expansion of one particle (Bloch) density matrix 91ff
Ring approximation, density functional version of 214ff
Ring approximation, for homogeneous electron gas 164ff
Ring approximation, for homogeneous relativistic electron gas 261
| Scaling behaviour 64ff
Scaling behaviour, of correlation energy functional 67 178
Scaling behaviour, of exchange energy functional 67 86
Scaling behaviour, of kinetic energy functional 65 86
Scaling behaviour, of Thomas — Fermi functional 128
Scattering function 140 218
Screened interaction 139 145 165 215 227
Self-energy insertion 33 140 142ff
Self-interaction correction 172 183 192ff 230 234 239
Semiclassical expansion, of groundstate density 82
Semiclassical expansion, of Kohn — Sham exchange energy 83
Semiclassical expansion, of noninteracting kinetic energy 82
Semiclassical expansion, of one-particle density matrix 81
Semiclassical expansion, of one-particle Green's function 78
Semiconductors 42 145 147 220
Shape function 18
Shell fluctuations 94 98 125 137
Skeleton expansion 140 144
Slater transition state 36 43 57 61
Spectroscopic constants 239ff
Spin density functional theory see “Spin polarisation”
Spin density matrix 26
Spin polarisation 25 30 52 87 97 162 172 176ff 188 193 219 227
Spin polarisation, relativistic 266ff
Step function, in terms of inverse Laplace transform 77
Structure factor, dynamic 152 155
Structure factor, static 159 170 172 185 196 202 222 227 274
Sum rule, for compressibility 167ff
Sum rule, for exchange hole 118
Sum rule, for exchange-correlation hole 123 186
Sum rule, for pair correlation function 276
Superconductivity 39
Supercritical atoms 270
Surface energy, correlation 196ff
Surface energy, exchange 101 196ff
Surface energy, kinetic 100
Surface energy, wave vector analysis of 196ff
Teller's theorem 125
Thomas — Fermi approximation for Bloch density matrix 90
Thomas — Fermi model 64 84 124 126ff
Thomas — Fermi model, relativistic 251 261 270
Thomas — Fermi screening function 127 213
Thomas — Fermi screening length 166
Thomas — Fermi — Dirac model 124 135
Thomas — Fermi — Dirac — Weizsacker model 124 135ff
Thomas — Fermi — Dirac — Weizsacker model, relativistic 260 270
Thomas — Fermi — Weizsacker model 135
Three-point function see “Vertex function”
Tight-binding approximation 145 148
Time dependent density functional theory 156
Transition state see “Slater transition state”
Triatomic molecules 130 244
Truncation, local 104
Turning point problem 83ff 255
Ultraviolet divergence 255
Universality 7 42 200 229
v-representability problem 10ff 48ff
v-representable, ensemble 11
v-representable, interacting 45 48 59 65
v-representable, noninteracting 44ff 48 59
v-representable, pure-state 10 32 34
Vacuum polarisation 251ff 269
Vacuum state 247 249
Variational principle, for excited states 33ff
Variational principle, for grand canonical ensemble 29
Variational principle, for groundstate energy 11 19 27 38 125 146
Variational principle, for superconducting systems 42
Variational principle, fractionally occupied states 55ff
Variational principle, Hohenberg — Kohn 6 45
Variational principle, in Kohn — Sham scheme 45
Variational principle, Rayleigh — Ritz 6 13 34 48 64
Vertex function 140 210 217
Vertex Function, relativistic 258
Vibrational frequencies, molecular 239
Virial theorem 65 67ff 132
Wave vector analysis 114 167 175 196ff 222ff
Weighted-density approximation 190 230ff
Weizsacker functional see “Kinetic energy functional”
Wigner crystal 163 166
Wigner distribution function 120
Wigner transform, of Bloch density matrix 91
Wigner transform, of Dirac density matrix 120
Wigner — Kirkwood expansion 79 91ff
Wigner — Seitz radius 150
WKB approximation 83
X-ray scattering 38
Zero-point energy 255
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