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Relationship between the random-phase approximation ground-state total energy and GW quasiparticle energy
被引:10
|作者:
Wang, Lin-Wang
[1
]
机构:
[1] Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA
来源:
PHYSICAL REVIEW B
|
2010年
/
82卷
/
11期
关键词:
DENSITY-FUNCTIONAL THEORY;
ELECTRON-GAS;
EXACT EXCHANGE;
SOLIDS;
D O I:
10.1103/PhysRevB.82.115111
中图分类号:
T [工业技术];
学科分类号:
08 ;
摘要:
A connection between the random-phase-approximation (RPA) total energy E(RPA) and the GW quasiparticle energy (is an element of)GW has been pointed out. More specifically we show that: delta E(RPA)(N)/delta N=is an element of(GW), where N is the total number of electron. The variational property of the RPA total energy is also discussed and the variational equations for the orbital wave functions are derived. We argue that the RPA formalism is a method which can provide both accurate ground-state energies and single quasiparticle energies.
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