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Recent advances of ab initio calculations in condensed matter physics[J]. PHYSICS, 2010, 39(11): 753-764.
Citation: Recent advances of ab initio calculations in condensed matter physics[J]. PHYSICS, 2010, 39(11): 753-764.

Recent advances of ab initio calculations in condensed matter physics

  • Recent advances of ab initio calculations in condensed matter physics are presented, with regard to the following eight issues. 1. Two ways of thought in static density functional theory; 2. Functional forms in solid state theory; 3. Time dependent density functional theory and density matrix functional theory; 4. Calculations of band structure in semiconductors: band gap and band order; 5. f electrons and strong correlated metals; 6. Mott insulators; 7. Noncovalent (weak) interactions; 8. Wave function based research. Some background knowledge is presented also.
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