Self-interaction correction to GW approximation

被引:7
作者
Chang, Yao-Wen [1 ]
Jin, Bih-Yaw
机构
[1] Natl Taiwan Univ, Dept Chem, Ctr Theoret Sci, Taipei 10764, Taiwan
关键词
QUASI-PARTICLE; ELECTRON CORRELATION; ATOMS;
D O I
10.1088/0031-8949/86/06/065301
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
A general approach to correct the self-interaction error in GW approximation is proposed, and proved to be exact in the one-electron limit. The correction is expressed by vertex corrections to both the self-energy and the polarization, and the formulation can be shown to be equivalent to the Schneider-Taylor-Yaris approximation of many-body scattering theory. The suitability of this correction in many-electron systems is also discussed. Numerical calculations of the two-electron two-site Hubbard model are performed to illustrate the effects of the self-interaction correction on many-electron systems.
引用
收藏
页数:6
相关论文
共 50 条
  • [41] Beyond Quasi-Particle Self-Consistent GW for Molecules with Vertex Corrections
    Forster, Arno
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2025, 21 (04) : 1709 - 1721
  • [42] Relativistic Fully Self-Consistent GW for Molecules: Total Energies and Ionization Potentials
    Abraham, Vibin
    Harsha, Gaurav
    Zgid, Dominika
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2024, 20 (11) : 4579 - 4590
  • [43] Benchmarking the GW Approximation and Bethe-Salpeter Equation for Groups IB and IIB Monoxides (vol 13, pg 2135, 2017)
    Hung, Linda
    Bruneval, Fabien
    Baishya, Kopinjol
    Ogut, Serdar
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 13 (11) : 5820 - 5821
  • [44] The validity of the local density approximation for smooth short range interaction potentials
    Mietzsch, Nicco
    JOURNAL OF MATHEMATICAL PHYSICS, 2020, 61 (11)
  • [45] Size consistency and counterpoise correction in explicitly correlated calculations of interaction energies and interaction-induced properties
    Lesiuk, Michal
    Jeziorski, Bogumil
    PHYSICAL REVIEW A, 2019, 99 (03)
  • [46] Relativistic Scott correction in self-generated magnetic fields
    Erdos, Laszlo
    Fournais, Soren
    Solovej, Jan Philip
    JOURNAL OF MATHEMATICAL PHYSICS, 2012, 53 (09)
  • [47] Accurate Correlation Potentials from the Self-Consistent Random Phase Approximation
    Trushin, Egor
    Fauser, Steffen
    Moelkner, Andreas
    Erhard, Jannis
    Goerling, Andreas
    PHYSICAL REVIEW LETTERS, 2025, 134 (01)
  • [48] Self-consistent total-energy approximation for electron gas systems
    Rasanen, E.
    Odriazola, A.
    Makkonen, I.
    Harju, A.
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2015, 252 (03): : 496 - 501
  • [49] All-electron self-consistent GW in the Matsubara-time domain: Implementation and benchmarks of semiconductors and insulators
    Chu, Iek-Heng
    Trinastic, Jonathan P.
    Wang, Yun-Peng
    Eguiluz, Adolfo G.
    Kozhevnikov, Anton
    Schulthess, Thomas C.
    Cheng, Hai-Ping
    PHYSICAL REVIEW B, 2016, 93 (12)
  • [50] Development of the Bethe-Salpeter method considering second-order corrections for a GW electron-hole interaction kernel
    Yamada, Satoka
    Noguchi, Yoshifumi
    Ishii, Kohei
    Hirose, Daichi
    Sugino, Osamu
    Ohno, Kaoru
    PHYSICAL REVIEW B, 2022, 106 (04)