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SUMMARY:The strong correlation problem: A quantum chemistry perspective
DTSTART:20150113T161500
DTSTAMP:20260407T194856Z
UID:355a1020e99c64e61427dad0953223fc39dfa6a021ccaf4ebf475ec4
CATEGORIES:Conferences - Seminars
DESCRIPTION:Prof. Gustavo E. Scuseria\, Rice University\, Houston\nComputa
 tional quantum chemistry is a very successful field. However\, 89 years af
 ter Schrodinger’s equation\, strongly correlated systems remain outside 
 the realm of accurate calculations. The reigning wavefunction paradigm\, c
 oupled cluster (CC) theory with single and double excitations\, accurately
  describes weak electron correlation but is known to fail in cases of stro
 ng correlation. The same is true for density functional approximations. Th
 is talk will address recent efforts in our research group to deal with str
 ongly correlated systems\, including bulk systems\, using first principles
  wavefunction methods. Our models make extensive use of similarity transfo
 rmed Hamiltonians and the concept of pairing\, but they do so utilizing tw
 o different bases: one is defined by the traditional reference determinant
  and the other one by the correlator themselves. Using those models as imp
 urity solvers\, we can study bulk systems using quantum embedding theories
 . This talk will discuss how quantum chemistry inspired tools can address 
 the challenge of strongly correlated materials.\nBio:B.S.\, M.S. (1979) Un
 iversity of Buenos Aires\nPh.D. (1983) University of Buenos Aires\n    
 Department of Materials Science and NanoEngineering\n    Department of 
 Physics and Astronomy\n    Keck Center for Quantitative Biomedical Scie
 nces\n    Ken Kennedy Institute for Information Technology\n    Rice
  Quantum Institute\n    Smalley Institute for Nanoscale Science and Tec
 hnology\nTheoretical chemistry\, ab initio computational quantum chemistry
 \, density functional theory\, development of new methods for molecular el
 ectronic structure\, and applications to materials and nanostructures.
LOCATION:MXF 1 https://plan.epfl.ch/?room==MXF%201
STATUS:CONFIRMED
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