Advanced

Self-energy calculation of the hydrogen atom: Importance of the unbound states

Sakuma, R. and Aryasetiawan, Ferdi LU (2012) In Physical Review A (Atomic, Molecular and Optical Physics) 85(4).
Abstract
We present the calculation of the self-energy of the isolated hydrogen atom within the GW approximation starting from the noninteracting Green's function constructed from the exact wave functions of the hydrogen atom. The error in the electron removal energy of the 1s state is found to be about 0.02 eV, which is much smaller than what one would expect. This small error is explained by the cancellation of the self-screening errors between different l contributions of the self-energy. The unbound continuum states are found to be crucial to get the correct self-energy.
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Review A (Atomic, Molecular and Optical Physics)
volume
85
issue
4
publisher
American Physical Society (APS)
external identifiers
  • wos:000302400600006
  • scopus:84859806911
ISSN
1050-2947
DOI
10.1103/PhysRevA.85.042509
language
English
LU publication?
yes
id
89d35d96-8dd6-4431-97c9-b649139af2c8 (old id 2574743)
date added to LUP
2012-06-04 12:46:47
date last changed
2017-01-01 03:24:04
@article{89d35d96-8dd6-4431-97c9-b649139af2c8,
  abstract     = {We present the calculation of the self-energy of the isolated hydrogen atom within the GW approximation starting from the noninteracting Green's function constructed from the exact wave functions of the hydrogen atom. The error in the electron removal energy of the 1s state is found to be about 0.02 eV, which is much smaller than what one would expect. This small error is explained by the cancellation of the self-screening errors between different l contributions of the self-energy. The unbound continuum states are found to be crucial to get the correct self-energy.},
  author       = {Sakuma, R. and Aryasetiawan, Ferdi},
  issn         = {1050-2947},
  language     = {eng},
  number       = {4},
  publisher    = {American Physical Society (APS)},
  series       = {Physical Review A (Atomic, Molecular and Optical Physics)},
  title        = {Self-energy calculation of the hydrogen atom: Importance of the unbound states},
  url          = {http://dx.doi.org/10.1103/PhysRevA.85.042509},
  volume       = {85},
  year         = {2012},
}