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SELF-CONSISTENT MANY-BODY THEORY OF PI-ELECTRON SYSTEMS .2. SELF-ENERGY EFFECTS
被引:6
作者:
BALDO, M
[1
]
PUCCI, R
[1
]
TOMASELLO, P
[1
]
机构:
[1] UNIV CATANIA, IST DIPT CHIM, I-95125 CATANIA, ITALY
关键词:
D O I:
10.1063/1.438031
中图分类号:
O64 [物理化学(理论化学)、化学物理学];
学科分类号:
070304 ;
081704 ;
摘要:
In the framework of the theory presented in a preceding paper (I) we analyze the electron self-energy (SE) effects on the low energy spectrum and oscillator strength of ethylene molecule. The SE is expressed through the same degrees of freedom (the one-body and two-body Green's functions) of the local field corrections (LFC) terms, which have been studied separately in I. The SE and LFC corrections are thus calculated by means of a self-consistent procedure. All the calculations are carried out in the Pariser-Parr-Pole (PPP) model. The results show that the SE terms play a decisive role in the self-consistent conditions, at least for the coupling constant g ≳ 1. © 1979 American Institute of Physics.
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页码:4086 / 4090
页数:5
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