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摘要
En 中文
Calculations of ground-state and excited-state properties of materials have been one of the major goals of condensed matter physics. Ground-state properties of solids have been extensively investigated for several decades within the standard density functional theory. Excited-state properties, on the other hand, were relatively unexplored in ab initio calculations until a decade ago. The most suitable approach up to now for studying excited-state properties of extended systems is the Green function method. To calculate the Green function one requires the self-energy operator which is non-local and energy dependent. In this article we describe the GW approximation which has turned out to be a fruitful approximation to the self-energy. The Green function theory, numerical methods for carrying out the self-energy calculations, simplified schemes, and applications to various systems are described. Self-consistency issue and new developments beyond the GW approximation are also discussed as well as the success and shortcomings of the GW approximation.
Keyword:
DENSITY-FUNCTIONAL THEORY
PARTICLE BAND-STRUCTURE
EXCHANGE-CORRELATION POTENTIALS
ANGLE-RESOLVED PHOTOEMISSION
TRANSITION-METAL MONOXIDES
SELF-ENERGY CALCULATIONS
X-RAY PHOTOEMISSION
VERTEX-CORRECTION CONTRIBUTION
STATIC DIELECTRIC MATRICES
MOLECULAR-BEAM EPITAXY
期刊
IF:
20.7
论文数:
1.6K
被引数:
2.4W
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