Contributors |
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ix | |
Preface |
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xiii | |
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1 Paradox of Self-Interaction Correction: How Can Anything So Right Be So Wrong? |
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1 | (14) |
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2 | (4) |
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2 What Is Right About PZ SIC? |
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6 | (1) |
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3 What Is Wrong About PZ SIC? |
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7 | (1) |
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4 SIC: How Can Anything So Right Be So Wrong? (Conclusions) |
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8 | (7) |
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10 | (1) |
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Appendix. Do Complex Orbitals Resolve the Paradox of SIC? |
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11 | (1) |
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12 | (3) |
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2 Local Spin Density Treatment of Substitutional Defects in Ionic Crystals with Self-Interaction Corrections |
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15 | (14) |
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15 | (3) |
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18 | (2) |
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3 Pure Crystal Calculation |
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20 | (1) |
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4 Embedded-Cluster Approach to Isolated Impurities |
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21 | (5) |
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26 | (3) |
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27 | (1) |
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27 | (2) |
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3 Electronic Transport as a Driver for Self-Interaction-Corrected Methods |
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29 | (58) |
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1 Electron Transport Formalism |
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32 | (3) |
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2 Atomic Self-Interaction Correction |
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35 | (4) |
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3 Linear Response: Energy Level Alignment |
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39 | (8) |
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4 Derivative Discontinuity of Exchange-Correlation Functional |
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47 | (15) |
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5 Recent Developments: DFT-NEGF with Improved Exchange-Correlation Functionals |
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62 | (2) |
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6 Tunneling Transport Through Magnetic Molecules |
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64 | (23) |
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80 | (1) |
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80 | (7) |
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4 The Two-Set and Average-Density Self-Interaction Corrections Applied to Small Electronic Systems |
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87 | (18) |
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88 | (4) |
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2 Average-Density SIC---A Very Simple Approach |
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92 | (1) |
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92 | (1) |
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4 Test of Molecular Binding for the N2 Dimer |
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93 | (1) |
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5 Dynamical Simulation of Ionization and IP |
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94 | (2) |
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96 | (2) |
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7 A Critical Example: Na(H2O)n |
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98 | (3) |
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8 PES and the Impact of s.p. Energies |
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101 | (4) |
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102 | (3) |
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5 Koopmans-Compliant Self-Interaction Corrections |
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105 | (24) |
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1 Introduction: Toward Many-Electron Self-Interaction Corrections |
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105 | (1) |
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2 Defining Self-Interaction Errors |
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106 | (5) |
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3 Classifying Self-Interaction Corrections |
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111 | (3) |
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4 Koopmans-Compliant PZ Correction |
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114 | (9) |
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123 | (6) |
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123 | (1) |
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123 | (6) |
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6 Constrained Local Potentials for Self-Interaction Correction |
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129 | (14) |
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Nektarios N.N. Lathiotakis |
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1 Constraining the Optimal Local Potential to Heal Self-Interaction |
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129 | (4) |
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2 Applications of the Approach of Constrained Local Potential |
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133 | (6) |
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139 | (4) |
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141 | (1) |
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141 | (2) |
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7 Self-Interaction Correction as a Kohn-Sham Scheme in Ground-State and Time-Dependent Density Functional Theory |
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143 | (10) |
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149 | (4) |
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8 Self-Interaction Corrections Within the Fermi-Orbital-Based Formalism |
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153 | (28) |
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154 | (3) |
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157 | (4) |
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3 Energies and Derivatives Within Fermi-Orbital SIC |
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161 | (7) |
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168 | (9) |
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177 | (4) |
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178 | (1) |
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178 | (3) |
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9 Laser Spectroscopy and Quantum Optics in GaAs and InAs Semiconductor Quantum Dots |
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181 | (42) |
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182 | (3) |
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2 Early Experiments on Fluctuation and Self-Assembled Quantum Dots: Suppression of the Usual Many-Body Physics Seen in Higher |
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185 | (7) |
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3 Quantum Coherence, Coherent Optical Control, and Application to Quantum Information |
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192 | (26) |
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218 | (5) |
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218 | (1) |
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219 | (4) |
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10 Ultracold Neutral Plasmas Well into the Strongly Coupled Regime |
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223 | (50) |
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224 | (3) |
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2 Transport in Dense Plasmas |
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227 | (4) |
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231 | (4) |
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4 Electron Shielding, 1 ≤ Γ ≤ 4 |
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235 | (3) |
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5 Strong Coupling in Screened Plasmas |
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238 | (2) |
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6 Structure of Ultracold Plasmas |
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240 | (2) |
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7 Using Rydberg States to Preorder the Neutral Gas |
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242 | (7) |
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249 | (8) |
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257 | (7) |
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264 | (1) |
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264 | (9) |
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265 | (1) |
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265 | (8) |
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11 Coherent Population Trapping, Nuclear Spin Cooling, and Levy Flights in Solid-State Atom-Like Systems |
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273 | (56) |
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274 | (3) |
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2 Physical System and Experiments: Overview |
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277 | (13) |
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3 Simulating Spin Bath Cooling |
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290 | (7) |
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297 | (9) |
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306 | (23) |
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307 | (1) |
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Appendix A NV-Laser Interaction Details |
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307 | (2) |
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Appendix B Details of Hyperfine Interaction |
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309 | (5) |
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Appendix C Simulating a Realistic 13!C Spin Bath |
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314 | (10) |
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324 | (5) |
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12 Thermodynamics of Quantum Systems Under Dynamical Control |
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329 | (68) |
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David Gelbwaser-Klimovsky |
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331 | (12) |
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2 Steady-State Cycles Under Periodic Modulation |
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343 | (7) |
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3 Periodically Modulated Qubit-Based Heat Machine |
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350 | (6) |
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4 QHMs Based on Periodically Modulated Multilevel Systems |
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356 | (6) |
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5 Quantum Heat Engines Driven by a Quantum Piston |
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362 | (6) |
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6 Self-contained QR with a Quantum Piston |
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368 | (2) |
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7 Continuously Driven Qubit as Quantum Cooler |
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370 | (4) |
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8 Cooling Speed of Quantum Baths |
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374 | (3) |
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9 Control of Non-Markovian Thermodynamic Processes |
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377 | (6) |
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10 Work-Information Relation Under Non-Markovian Evolution: Violation of the SL Bound |
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383 | (6) |
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11 Discussion and Outlook |
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389 | (8) |
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396 | (1) |
References |
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397 | (12) |
Index |
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409 | (12) |
Contents of Volumes in This Serial |
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421 | |