Preface |
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xi | |
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1 | (17) |
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1 | (1) |
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2 | (1) |
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The independent-particle approximation |
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3 | (4) |
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7 | (2) |
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Configuration interaction |
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9 | (1) |
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10 | (1) |
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11 | (4) |
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Disconnected clusters and extensivity |
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15 | (3) |
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Formal perturbation theory |
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18 | (36) |
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18 | (1) |
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Classical derivation of Rayleigh-Schrodinger perturbation theory |
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18 | (9) |
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27 | (2) |
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General derivation of formal time-independent perturbation theories |
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29 | (17) |
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Similarity transformation derivation of the formal perturbation equations and quasidegenerate PT |
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46 | (7) |
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53 | (1) |
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54 | (36) |
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54 | (1) |
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Creation and annihilation operators |
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55 | (12) |
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Normal products and Wick's theorem |
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67 | (4) |
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Particle-hole formulation |
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71 | (4) |
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Partitioning of the Hamiltonian |
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75 | (5) |
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Normal-product form of the quantum-mechanical operators |
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80 | (5) |
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Generalized time-independent Wick's theorem |
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85 | (1) |
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Evaluation of matrix elements |
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86 | (4) |
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90 | (40) |
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90 | (1) |
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91 | (1) |
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92 | (19) |
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111 | (19) |
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Diagrammatic expansions for perturbation theory |
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130 | (35) |
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Resolvent operator and denominators |
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130 | (1) |
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131 | (1) |
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131 | (1) |
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132 | (2) |
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134 | (1) |
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135 | (3) |
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138 | (14) |
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152 | (1) |
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153 | (3) |
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Unlinked diagrams and extensivity |
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156 | (9) |
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Proof of the linked-diagram theorem |
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165 | (12) |
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The factorization theorem |
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165 | (7) |
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The linked-diagram theorem |
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172 | (5) |
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Computational aspects of MBPT |
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177 | (8) |
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Techniques of diagram summation |
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177 | (3) |
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Factorization of fourth-order quadruple-excitation diagrams |
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180 | (2) |
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182 | (3) |
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Open-shell and quasidegenerate perturbation theory |
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185 | (66) |
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Formal quasidegenerate perturbation theory (QDPT) |
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185 | (7) |
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The Fermi vacuum and the model states |
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192 | (2) |
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Normal-product form of the generalized Bloch equations |
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194 | (1) |
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Diagrammatic notation for QDPT |
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195 | (3) |
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Schematic representation of the generalized Bloch equation |
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198 | (5) |
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Level-shift and wave-operator diagrams |
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203 | (24) |
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227 | (24) |
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Foundations of coupled-cluster theory |
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251 | (41) |
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Coupled-cluster theory for noninteracting He atoms |
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251 | (3) |
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The coupled-cluster wave function |
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254 | (4) |
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The coupled-cluster doubles (CCD) equations |
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258 | (14) |
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Exponential Ansatz and the linked-diagram theorem of MBPT |
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272 | (7) |
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Diagrammatic derivation of the CCD equations |
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279 | (13) |
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Systematic derivation of the coupled-cluster equations |
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292 | (55) |
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The connected form of the CC equations |
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292 | (3) |
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The general form of CC diagrams |
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295 | (2) |
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Systematic generation of CC diagrams |
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297 | (2) |
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The coupled-cluster singles and doubles (CCSD) equations |
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299 | (9) |
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Coupled-cluster singles, doubles and triples (CCSDT) equations |
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308 | (13) |
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Coupled-cluster singles, doubles, triples and quadruples (CCSDTQ) equations |
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321 | (7) |
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Coupled-cluster effective-Hamiltonian diagrams |
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328 | (12) |
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Results of various CC methods compared with full CI |
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340 | (7) |
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Calculation of properties in coupled-cluster theory |
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347 | (59) |
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Expectation value for a CC wave function |
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347 | (5) |
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352 | (9) |
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The response treatment of properties |
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361 | (5) |
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366 | (1) |
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367 | (9) |
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Effective-Hamiltonian form of the Λ equations |
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376 | (5) |
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Response treatment of the density matrices |
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381 | (4) |
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The perturbed reference function |
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385 | (11) |
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The CC correlation-energy derivative |
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396 | (10) |
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Additional aspects of coupled-cluster theory |
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406 | (25) |
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Spin summations and computational considerations |
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406 | (5) |
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Coupled-cluster theory with an arbitrary single-determinant reference function |
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411 | (4) |
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Generalized many-body perturbation theory |
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415 | (3) |
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Brueckner orbitals and alternative treatments of T |
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418 | (4) |
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Monitoring multiplicities in open-shell coupled-cluster calculations |
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422 | (3) |
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The A and B response matrices from the viewpoint of CCS |
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425 | (2) |
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Noniterative approximations based on the CC energy functional |
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427 | (2) |
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The nature of the solutions of CC equations |
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429 | (2) |
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The equation-of-motion coupled-cluster method for excited, ionized and electron-attached states |
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431 | (31) |
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431 | (1) |
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432 | (5) |
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Diagrammatic treatment of the EE-EOM-CC equations |
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437 | (8) |
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EOM-CC treatment of ionization and electron attachment |
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445 | (4) |
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EOM-CC treatment of higher-order properties |
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449 | (5) |
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EOM-CC treatment of frequency-dependent properties |
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454 | (8) |
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Multireference coupled-cluster methods |
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462 | (34) |
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462 | (3) |
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Hilbert-space state-universal MRCC |
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465 | (6) |
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Hilbert-space state-specific MRCC |
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471 | (4) |
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Fock-space valence-universal MRCC |
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475 | (15) |
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Intermediate-Hamiltonian Fock-space MRCC |
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490 | (6) |
References |
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496 | (25) |
Author index |
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521 | (3) |
Subject index |
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524 | |