TY - JOUR
T1 - GW self-energy calculations for surfaces and interfaces (review in special CCP3 issue)
AU - Godby, R.W.
AU - Garc'ia-González, P.
N1 - © 2001 Elsevier Science B.V. Published in Computer Physics Communications and uploaded in accordance with the publisher's self archiving policy.
PY - 2001
Y1 - 2001
N2 - The many-body GW approximation has become the most popular method in ab initio calculations of excited-state properties in real materials. GW overcomes many of the limitations of traditional density functional theories to predict one-electron excitation spectra for a wide variety of materials. In this article we review some applications of GW to real surfaces, from calculations of surface band structures in semiconductors to estimations of the lifetimes of surface states in metals.
AB - The many-body GW approximation has become the most popular method in ab initio calculations of excited-state properties in real materials. GW overcomes many of the limitations of traditional density functional theories to predict one-electron excitation spectra for a wide variety of materials. In this article we review some applications of GW to real surfaces, from calculations of surface band structures in semiconductors to estimations of the lifetimes of surface states in metals.
U2 - 10.1016/S0010-4655(01)00174-6
DO - 10.1016/S0010-4655(01)00174-6
M3 - Article
SN - 0010-4655
VL - 137
SP - 108
EP - 122
JO - Computer Physics Communications
JF - Computer Physics Communications
IS - 1
ER -