Excited state electronic structure and the theory of x-ray spectra

被引:10
作者
Rehr, JJ [1 ]
机构
[1] Univ Washington, Dept Phys, Seattle, WA 98195 USA
关键词
D O I
10.1088/0953-8984/15/5/317
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
There has been dramatic progress in recent years both in efficient calculations and in the interpretation of various x-ray spectroscopies. For example, real-space multiple-scattering theory gives a unified treatment of extended x-ray absorption fine structure, near edge structure, x-ray magnetic circular dichroism and other spectroscopies. Here we discuss the theory of x-ray spectra in the framework of excited state electronic structure. These are closely connected since x-ray spectra are directly related to a Green function for the excited photoelectron in the presence of a core hole. However, corrections to the independent electron approximation are needed to account for many-body effects such as inelastic losses, screening, and core-hole effects. We discuss recent approaches for calculating such corrections and show that they can explain some of the remaining discrepancies between theory and experiment.
引用
收藏
页码:S647 / S654
页数:8
相关论文
共 42 条
  • [1] Single configuration Dirac-Fock atom code
    Ankudinov, AL
    Zabinsky, SI
    Rehr, JJ
    [J]. COMPUTER PHYSICS COMMUNICATIONS, 1996, 98 (03) : 359 - 364
  • [2] Parallel calculation of electron multiple scattering using Lanczos algorithms
    Ankudinov, AL
    Bouldin, CE
    Rehr, JJ
    Sims, J
    Hung, H
    [J]. PHYSICAL REVIEW B, 2002, 65 (10) : 1041071 - 10410711
  • [3] ANKUDINOV AL, 2002, PREPRINT
  • [4] A NEW APPROACH TO THE THEORY OF PHOTOEMISSION FROM SOLIDS
    BARDYSZEWSKI, W
    HEDIN, L
    [J]. PHYSICA SCRIPTA, 1985, 32 (04) : 439 - 450
  • [5] Real-space, real-time method for the dielectric function
    Bertsch, GF
    Iwata, JI
    Rubio, A
    Yabana, K
    [J]. PHYSICAL REVIEW B, 2000, 62 (12): : 7998 - 8002
  • [6] FULL-POTENTIAL, LINEARIZED AUGMENTED PLANE-WAVE PROGRAMS FOR CRYSTALLINE SYSTEMS
    BLAHA, P
    SCHWARZ, K
    SORANTIN, P
    TRICKEY, SB
    [J]. COMPUTER PHYSICS COMMUNICATIONS, 1990, 59 (02) : 399 - 415
  • [7] WHITE LINES IN X-RAY ABSORPTION
    BROWN, M
    PEIERLS, RE
    STERN, EA
    [J]. PHYSICAL REVIEW B, 1977, 15 (02): : 738 - 744
  • [8] Interference between extrinsic and intrinsic losses in x-ray absorption fine structure
    Campbell, L
    Hedin, L
    Rehr, JJ
    Bardyszewski, W
    [J]. PHYSICAL REVIEW B, 2002, 65 (06) : 641071 - 6410713
  • [9] X-RAY-ABSORPTION AND DICHROISM OF TRANSITION-METALS AND THEIR COMPOUNDS
    DEGROOT, FMF
    [J]. JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1994, 67 (04) : 529 - 622
  • [10] CALCULATION OF X-RAY ABSORPTION NEAR-EDGE STRUCTURE, XANES
    DURHAM, PJ
    PENDRY, JB
    HODGES, CH
    [J]. COMPUTER PHYSICS COMMUNICATIONS, 1982, 25 (02) : 193 - 205