User menu

GW approximations and vertex corrections on the Keldysh time-loop contour: Application for model systems at equilibrium

Bibliographic reference Ness, H. ; Dash, L.K. ; Stankovski, Martin ; Godby, R.W.. GW approximations and vertex corrections on the Keldysh time-loop contour: Application for model systems at equilibrium. In: Physical review. B, Condensed matter and materials physics, Vol. 84, no. 19 (2011)
Permanent URL
  1. Abrikosov A. A., Gorkov L. P., Dzyaloshinski I. E., Silverman Richard A., Weiss George H., Methods of Quantum Field Theory in Statistical Physics, 10.1063/1.3051555
  2. Hedin Lars, New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem, 10.1103/physrev.139.a796
  3. L. Hedin, Solid State Physics (1969)
  4. Godby R. W., Schlüter M., Sham L. J., Self-energy operators and exchange-correlation potentials in semiconductors, 10.1103/physrevb.37.10159
  5. Del Sole R., Reining Lucia, Godby R. W., GWΓ approximation for electron self-energies in semiconductors and insulators, 10.1103/physrevb.49.8024
  6. Aryasetiawan F, Gunnarsson O, TheGWmethod, 10.1088/0034-4885/61/3/002
  7. Rieger Martin M., Steinbeck L., White I.D., Rojas H.N., Godby R.W., The GW space-time method for the self-energy of large systems, 10.1016/s0010-4655(98)00174-x
  8. Onida Giovanni, Reining Lucia, Rubio Angel, Electronic excitations: density-functional versus many-body Green’s-function approaches, 10.1103/revmodphys.74.601
  9. Rohlfing Michael, Krüger Peter, Pollmann Johannes, Efficient scheme forGWquasiparticle band-structure calculations with applications to bulk Si and to the Si(001)-(2×1) surface, 10.1103/physrevb.52.1905
  10. Rohlfing Michael, Louie Steven G., Electron-hole excitations and optical spectra from first principles, 10.1103/physrevb.62.4927
  11. Benedict Lorin X., Spataru Catalin D., Louie Steven G., Quasiparticle properties of a simple metal at high electron temperatures, 10.1103/physrevb.66.085116
  12. Blase X., Attaccalite C., Olevano V., First-principlesGWcalculations for fullerenes, porphyrins, phtalocyanine, and other molecules of interest for organic photovoltaic applications, 10.1103/physrevb.83.115103
  13. Faber Carina, Attaccalite Claudio, Olevano V., Runge E., Blase X., First-principlesGWcalculations for DNA and RNA nucleobases, 10.1103/physrevb.83.115123
  14. L. Keldysh, Sov. Phys. JETP, 20, 1018 (1965)
  15. Wagner Mathias, Expansions of nonequilibrium Green’s functions, 10.1103/physrevb.44.6104
  16. Danielewicz P, Quantum theory of nonequilibrium processes, I, 10.1016/0003-4916(84)90092-7
  17. van Leeuwen R., Dahlen N.E., Stefanucci G., Almbladh C.-O., von Barth U., Introduction to the Keldysh Formalism, Time-Dependent Density Functional Theory (2006) ISBN:9783540354222 p.33-59, 10.1007/3-540-35426-3_3
  18. H. Haug, Quantum Kinetics in Transport and Optics of Semiconductors (1996)
  19. Myöhänen Petri, Stan Adrian, Stefanucci Gianluca, van Leeuwen Robert, Kadanoff-Baym approach to quantum transport through interacting nanoscale systems: From the transient to the steady-state regime, 10.1103/physrevb.80.115107
  20. Myöhänen P., Stan A., Stefanucci G., van Leeuwen R., A many-body approach to quantum transport dynamics: Initial correlations and memory effects, 10.1209/0295-5075/84/67001
  21. Rammer Jorgen, Quantum Field Theory of Non-Equilibrium States, ISBN:9780511618956, 10.1017/cbo9780511618956
  22. Stefanucci Gianluca, Almbladh Carl-Olof, Time-dependent partition-free approach in resonant tunneling systems, 10.1103/physrevb.69.195318
  23. Rammer Jørgen, Quantum transport theory of electrons in solids: A single-particle approach, 10.1103/revmodphys.63.781
  24. Rammer J., Smith H., Quantum field-theoretical methods in transport theory of metals, 10.1103/revmodphys.58.323
  25. Danielewicz P, Quantum theory of nonequilibrium processes II. Application to nuclear collisions, 10.1016/0003-4916(84)90093-9
  26. Schwinger Julian, Brownian Motion of a Quantum Oscillator, 10.1063/1.1703727
  27. Chou Kuang-chao, Su Zhao-bin, Hao Bai-lin, Yu Lu, Equilibrium and nonequilibrium formalisms made unified, 10.1016/0370-1573(85)90136-x
  28. Spataru Catalin D., Benedict Lorin X., Louie Steven G., Ab initiocalculation of band-gap renormalization in highly excited GaAs, 10.1103/physrevb.69.205204
  29. Stan A, Dahlen N. E, Leeuwen R. van, Fully self-consistentGWcalculations for atoms and molecules, 10.1209/epl/i2006-10266-6
  30. Dahlen Nils Erik, van Leeuwen Robert, Solving the Kadanoff-Baym Equations for Inhomogeneous Systems: Application to Atoms and Molecules, 10.1103/physrevlett.98.153004
  31. Stan Adrian, Dahlen Nils Erik, van Leeuwen Robert, Levels of self-consistency in the GW approximation, 10.1063/1.3089567
  32. Stan Adrian, Dahlen Nils Erik, van Leeuwen Robert, Time propagation of the Kadanoff–Baym equations for inhomogeneous systems, 10.1063/1.3127247
  33. Thygesen Kristian S., Rubio Angel, Nonequilibrium GW approach to quantum transport in nano-scale contacts, 10.1063/1.2565690
  34. Rostgaard C., Jacobsen K. W., Thygesen K. S., Fully self-consistent GW calculations for molecules, 10.1103/physrevb.81.085103
  35. von Friesen M. Puig, Verdozzi C., Almbladh C.-O., Successes and Failures of Kadanoff-Baym Dynamics in Hubbard Nanoclusters, 10.1103/physrevlett.103.176404
  36. Puig von Friesen Marc, Verdozzi C., Almbladh C.-O., Kadanoff-Baym dynamics of Hubbard clusters: Performance of many-body schemes, correlation-induced damping and multiple steady and quasi-steady states, 10.1103/physrevb.82.155108
  37. Harbola Upendra, Mukamel Shaul, Nonequilibrium superoperator GW equations, 10.1063/1.2161177
  38. Langreth David C., Singularities in the X-Ray Spectra of Metals, 10.1103/physrevb.1.471
  39. Minnhagen P, Aspects on diagrammatic expansion for models related to a homogeneous electron gas, 10.1088/0022-3719/8/10/010
  40. Aulbur Wilfried G., Jönsson Lars, Wilkins John W., Quasiparticle Calculations in Solids, Solid State Physics (2000) ISBN:9780126077544 p.1-218, 10.1016/s0081-1947(08)60248-9
  41. Rinke Patrick, Qteish Abdallah, Neugebauer Jörg, Scheffler Matthias, Exciting prospects for solids: Exact-exchange based functionals meet quasiparticle energy calculations, 10.1002/pssb.200743380
  42. van Schilfgaarde M., Kotani Takao, Faleev S., Quasiparticle Self-ConsistentGWTheory, 10.1103/physrevlett.96.226402
  43. de Groot H. J., Bobbert P. A., van Haeringen W., Self-consistentGWfor a quasi-one-dimensional semiconductor, 10.1103/physrevb.52.11000
  44. von Barth Ulf, Holm Bengt, Self-consistentGW0results for the electron gas: Fixed screened potentialW0within the random-phase approximation, 10.1103/physrevb.54.8411
  45. Shirley Eric L., Self-consistentGWand higher-order calculations of electron states in metals, 10.1103/physrevb.54.7758
  46. Romaniello P., Guyot S., Reining L., The self-energy beyond GW: Local and nonlocal vertex corrections, 10.1063/1.3249965
  47. Holm B., von Barth U., Fully self-consistentGWself-energy of the electron gas, 10.1103/physrevb.57.2108
  48. Holm Bengt, Total Energies fromGWCalculations, 10.1103/physrevlett.83.788
  49. García-González P., Godby R. W., Self-consistent calculation of total energies of the electron gas using many-body perturbation theory, 10.1103/physrevb.63.075112
  50. Baym Gordon, Kadanoff Leo P., Conservation Laws and Correlation Functions, 10.1103/physrev.124.287
  51. Kaasbjerg K., Thygesen K. S., Benchmarking GW against exact diagonalization for semiempirical models, 10.1103/physrevb.81.085102
  52. Kutepov Andrey, Savrasov Sergey Y., Kotliar Gabriel, Ground-state properties of simple elements from GW calculations, 10.1103/physrevb.80.041103
  53. Faleev Sergey V., van Schilfgaarde Mark, Kotani Takao, All-Electron Self-ConsistentGWApproximation: Application to Si, MnO, and NiO, 10.1103/physrevlett.93.126406
  54. Shishkin M., Marsman M., Kresse G., Accurate Quasiparticle Spectra from Self-ConsistentGWCalculations with Vertex Corrections, 10.1103/physrevlett.99.246403
  55. Jiang Hong, Gomez-Abal Ricardo I., Rinke Patrick, Scheffler Matthias, Localized and Itinerant States in Lanthanide Oxides United byGW @ LDA+U, 10.1103/physrevlett.102.126403
  56. Chantis Athanasios N., van Schilfgaarde Mark, Kotani Takao, Quasiparticle self-consistentGWmethod applied to localized4felectron systems, 10.1103/physrevb.76.165126
  57. Giantomassi M., Stankovski M., Shaltaf R., Grüning M., Bruneval F., Rinke P., Rignanese G.-M., Electronic properties of interfaces and defects from many-body perturbation theory: Recent developments and applications, 10.1002/pssb.201046094
  58. Ness H, Quantum inelastic electron–vibration scattering in molecular wires: Landauer-like versus Green’s function approaches and temperature effects, 10.1088/0953-8984/18/27/014
  59. Dash L. K., Ness H., Godby R. W., Nonequilibrium electronic structure of interacting single-molecule nanojunctions: Vertex corrections and polarization effects for the electron-vibron coupling, 10.1063/1.3339390
  60. Dash L. K., Ness H., Godby R. W., Nonequilibrium inelastic electronic transport: Polarization effects and vertex corrections to the self-consistent Born approximation, 10.1103/physrevb.84.085433
  61. G. D. Mahan, Many-Particle Physics (1990)
  62. Verdozzi C., Godby R. W., Holloway S., Evaluation ofGWApproximations for the Self-Energy of a Hubbard Cluster, 10.1103/physrevlett.74.2327
  63. Minnhagen P, Vertex correction calculations for an electron gas, 10.1088/0022-3719/7/17/011
  64. Ness H., Dash L. K., Godby R. W., Generalization and applicability of the Landauer formula for nonequilibrium current in the presence of interactions, 10.1103/physrevb.82.085426
  65. Kita T., Introduction to Nonequilibrium Statistical Mechanics with Quantum Field Theory, 10.1143/ptp.123.581
  66. Meden V., Wöhler C., Fricke J., Schönhammer K., Hot-electron relaxation: An exactly solvable model and improved quantum kinetic equations, 10.1103/physrevb.52.5624
  67. Lipavský P., Špička V., Velický B., Generalized Kadanoff-Baym ansatz for deriving quantum transport equations, 10.1103/physrevb.34.6933
  68. A. L. Fetter, Quantum Theory of Many-Particle Systems (1971)
  69. Nagao Tadaaki, Yaginuma Shin, Inaoka Takeshi, Sakurai Toshio, One-Dimensional Plasmon in an Atomic-Scale Metal Wire, 10.1103/physrevlett.97.116802
  70. Strange M., Rostgaard C., Häkkinen H., Thygesen K. S., Self-consistent GW calculations of electronic transport in thiol- and amine-linked molecular junctions, 10.1103/physrevb.83.115108
  71. Mera H., Kaasbjerg K., Niquet Y. M., Stefanucci G., Assessing the accuracy of Kohn-Sham conductances using the Friedel sum rule, 10.1103/physrevb.81.035110
  72. Spataru Catalin D., Hybertsen Mark S., Louie Steven G., Millis Andrew J., GW approach to Anderson model out of equilibrium: Coulomb blockade and false hysteresis in theI−Vcharacteristics, 10.1103/physrevb.79.155110
  73. Wang X., Spataru C. D., Hybertsen M. S., Millis A. J., Electronic correlation in nanoscale junctions: Comparison of the GW approximation to a numerically exact solution of the single-impurity Anderson model, 10.1103/physrevb.77.045119
  74. Darancet Pierre, Ferretti Andrea, Mayou Didier, Olevano Valerio, Ab initioGWelectron-electron interaction effects in quantum transport, 10.1103/physrevb.75.075102