期刊
PHYSICAL REVIEW B
卷 103, 期 3, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.103.035120
关键词
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资金
- European Research Council under the European Union's Seventh Framework Program (FP/2007-2013)/ERC Grant [306447]
- Austrian Science Fund (FWF) [30997, P 30819, P 32044]
The self-consistent D Gamma A approach is successfully applied to multiorbital models and ab initio materials calculations, reducing nonlocal correlations and critical temperatures effectively.
We present and implement a self-consistent D Gamma A approach for multiorbital models and ab initio materials calculations. It is applied to the one-band Hubbard model at various interaction strengths with and without doping, to the two-band Hubbard model with two largely different bandwidths, and to SrVO3. The self-energy feedback reduces critical temperatures compared to dynamical mean-field theory, even to zero temperature in two dimensions. Compared to a one-shot, non-self-consistent calculation the nonlocal correlations are significantly reduced when they are strong. In case nonlocal correlations are weak to moderate as for SrVO3, one-shot calculations are sufficient.
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