|
|
Авторизация |
|
|
Поиск по указателям |
|
|
|
|
|
|
|
|
|
|
Hess B.A. — Relativistic Effects in Heavy-Element Chemistry and Physics |
|
|
Предметный указатель |
Nuclear magneton 55
Nuclear-recoil corrections 49
Numerical integration 160
Numerical methods 65 66 68 69
One-atom-at-a-time chemistry 219
One-electron function 64 67
One-electron function, radial function 68
Operators, time-dependent 3
OPM 185 201
Optimized potential method 136 141 185 201
Orbital polarization 168 198
Orbital-dependent functionals 136 139
Orbitals, core-penetrating 89
Pair creation 1—3 15 16 18—27
Pair creation, lepton-antilepton 15
Pair creation, muon 27
Pair production, muon 27
Palladium 248
Paramagnetic current 130
Paramagnetic susceptibility 198
Parity violation 1 85
Partial-wave renormalization 43
Pauli representation 62
Pauli — Villars regularization 43
Phosphorescence 85
Photoionization 73
Photon propagator 128
Platinum, aminocarbenes 252
Platinum, carbene 247
Ponderomotive energy 2 4
Ponderomotive potential 15
Ponderomotive scattering 10—12
Positronic states 67—69
Potential, core polarization 106 115
Potential, effective core 106
Potential, model 106 108
Potential, pseudo- 106
PP 106
Projection operators 66 68
Propagator, free-photon 33
Pseudo-orbital 148
Pseudo-orbital transformation 106
Pseudopotential for exact exchange 149 150
Pseudopotential, norm-conserving 147
Pseudopotential, screened 149
Pseudopotential, shape consistent 112
Pseudopotentials 106
Pseudopotentials, energy-consistent 113
Pseudovalence orbital 106
Pulay force 156
QMC 119
Quantum electrodynamics 1 65 68 124
Quantum electrodynamics, four-current operator 125
Quantum electrodynamics, Hamiltonian 125
Quantum Monte Carlo 119 120
R-matrix method 70 74
R-matrix method, variational 70
Racah parameters 168
Regular approximation 94
Relativistic density functional theory 123
Relativistic effect, direct 90
Relativistic effect, indirect 90
Renormalization 37 49 125 126
Repulsion correction, core-core 115
Repulsion correction, core-nucleus 115
S toner enhancement 199
Scalar relativistic 91 97
Scattering, ponderomotive 10—12
Scattering, Thomson 13
SCF equations 65
| SDFT 165
Self-energy 31 42—45 47—49 52 57
Self-energy corrections 214
Self-interaction correction 169
Shape anisotropy 168
SIC 169
Simple Coulombic correction 79
Slater determinant 64
SMA 202
SOMF 98
Spectroscopic parameters, heavy dimers 155
Spectroscopic parameters, noble-metal dimers 102 146
Spectroscopic parameters, transition-metal compounds 150
Spin density functional theory 165
Spin magnetization, induced 197
Spin polarization 100
Spin-density functional theory, nonrelativistic 135 148
Spin-orbit coupling 89 122 147 163
Spin-orbit interaction 100
Spin-orbit mean-field 98
Spin-orbit, splittings from QMC 120
Spin-singlet superconductors 174
Spontaneous magnetoresistance, anisotropy 202
SPR-KKR 176
Stoner enhancement factor 197
Sturmians 66
Superconductors 215
Superconductors, spin-singlet 174
Superheavy elements 111 118
Superintense laser fields 4
Supramolecular structures 245
Term values 71
Thomson cross-section 14
Thomson scattering, nonlinear 13
Time-dependent operators 3
Time-evolution operator 3
Transactinides 219
Transformed Hamiltonians 91
Transition metals 246
Transition probabilities 71
Transport properties 202
Transverse interaction 128 132 134 137 142
TSR see also two-state reactivity
Two-state reactivity 253
Uehling potential 46
Ultrarelativistic limit 23
Uniqueness of density functionals 126
Universality 126
Unscreening 148
Uranium fluoride 246
VACUUM 125
Vacuum polarization 31 45—49
Van der Waals interaction in QMC 121
Van Vleck susceptibility 198
Variational equation, density-only form 130
Variational equation, four-current form 127
Variational equation, magnetization-dependent form 131
Virial theorem 67
Volkov states 5
Voronoi cell 153
Vorticity 167
Water complexes 250
Weakly relativistic expansion 149
Weizsacker — Wilhams approximation 25
Wichmann — Kroll 45
Wick's theorem 41
Wood — Boring 108 109 113
X-ray absorption near edge structure 207
XANES 207
Xenon 250
ZORA 94
|
|
|
Реклама |
|
|
|