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Hess B.A. — Relativistic Effects in Heavy-Element Chemistry and Physics
Hess B.A. — Relativistic Effects in Heavy-Element Chemistry and Physics



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Название: Relativistic Effects in Heavy-Element Chemistry and Physics

Автор: Hess B.A.

Аннотация:

Nineteen German scientists contribute seven chapters reporting on the work done during the 1990s in the Collaborative Research Program ("Schwerpunkt") of the German Science Foundation. The different theoretical tools are presented, as well as the results obtained using these methods for both simple and complicated (i.e. many-atom) systems. Coverage includes basic theory and quantum electrodynamics in strong fields; four-component Ab Initio methods for atoms, molecules and solids; relativistic quantum chemistry with pseudopotentials and transformed Hamiltonians; relativistic density functional theory; magnetic phenomena in solids; experimental and theoretical study of the chemistry of the heaviest elements; and experimental probes for relativistic effects in the chemistry of heavy d and f elements.


Язык: en

Рубрика: Физика/

Статус предметного указателя: Готов указатель с номерами страниц

ed2k: ed2k stats

Год издания: 2002

Количество страниц: 307

Добавлена в каталог: 22.06.2005

Операции: Положить на полку | Скопировать ссылку для форума | Скопировать ID
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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
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