Journal
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
Volume 86, Issue 4, Pages -Publisher
PHYSICAL SOC JAPAN
DOI: 10.7566/JPSJ.86.044714
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Funding
- JSPS KAKENHI [16J21175]
- Advanced Low Carbon Technology Research and Development Program (ALCA) of Japan Science and Technology Agency (JST)
- Basic Science Research Program through NRF [2014R1A1A2057202]
- National Research Foundation of Korea [2014R1A1A2057202] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
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We present a new method to obtain a model Hamiltonian from first-principles calculations. The effective interaction contained in the model is determined on the basis of random phase approximation (RPA). In contrast to previous methods such as projected RPA and constrained RPA (cRPA), the new method named model-mapped RPA takes into account the long-range part of the polarization effect to determine the effective interaction in the model. After discussing the problems of cRPA, we present the formulation of the model-mapped RPA, together with a numerical test for the single-band Hubbard model of HgBa2CuO4.
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