mirror of
https://github.com/triqs/dft_tools
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72 lines
2.7 KiB
ReStructuredText
72 lines
2.7 KiB
ReStructuredText
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.. index:: TRIQS collaboration
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.. _collaboration:
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The TRIQS collaboration
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========================
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TRIQS core
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----------
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Basic components and python libraries
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.....................................
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**Main developers**: M. Ferrero, O. Parcollet
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**Contributors**: L. Boehnke (Legendre Green's functions)
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C++ ``triqs::arrays`` library
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.............................
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**Developer**: O. Parcollet
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Quantum impurity solvers
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-------------------------
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Continuous-time quantum Monte Carlo
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...................................
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The CTQMC algorithm implemented in TRIQS is based on a hybridization expansion
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of the partition function as described in references [#ctqmc1]_ and [#ctqmc2]_.
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The computation of the imaginary-time Green's function has been improved with
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the use of Legendre polynomials following reference [#ctqmc3]_.
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**Main developers**: M. Ferrero, O. Parcollet
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**Contributors**: L. Boehnke (measures in Legendre basis)
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**Related papers**:
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.. [#ctqmc1] `P. Werner, A. Comanac, L. de’ Medici, M. Troyer, and A. J. Millis, Phys. Rev. Lett. 97, 076405 (2006) <http://link.aps.org/doi/10.1103/PhysRevLett.97.076405>`_ (:download:`bibtex file <ctqmc2.bib>`)
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.. [#ctqmc2] `P. Werner and A. J. Millis, Phys. Rev. B 74, 155107 (2006) <http://link.aps.org/doi/10.1103/PhysRevB.74.155107>`_ (:download:`bibtex file <ctqmc3.bib>`)
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.. [#ctqmc3] `L. Boehnke, H. Hafermann, M. Ferrero, F. Lechermann, and O. Parcollet, Phys. Rev. B 84, 075145 (2011) <http://link.aps.org/doi/10.1103/PhysRevB.84.075145>`_ (:download:`bibtex file <ctqmc1.bib>`)
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Hubbard I
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..........
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**Main developer**: L. Pourovskii
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Wien2TRIQS
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-----------------
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The developement of an interface between the Wien2k electronic structure
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package and TRIQS has been motivated by a scientific collaboration between the
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research groups of Antoine Georges, Silke Biermann (Ecole Polytechnique),
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Olivier Parcollet (CEA Saclay). A first step has been the definition of the
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framework and the construction of the projective Wannier functions as input for
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the DMFT calculations [#wien2k1]_. This has been followed by the introduction
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of full charge self-consistency [#wien2k2]_, necessary for total energy
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calculations.
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**Developers**: M. Aichhorn, L. Pourovskii, V. Vildosola, C. Martins
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**Related papers**:
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.. [#wien2k1] `M. Aichhorn, L. Pourovskii, V. Vildosola, M. Ferrero, O. Parcollet, T. Miyake, A. Georges, and S. Biermann, Phys. Rev. B 80, 085101 (2009) <http://link.aps.org/doi/10.1103/PhysRevB.80.085101>`_ (:download:`bibtex file <wien2k1.bib>`)
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.. [#wien2k2] `M. Aichhorn, L. Pourovskii, and A. Georges, Phys. Rev. B 84, 054529 (2011) <http://link.aps.org/doi/10.1103/PhysRevB.84.054529>`_ (:download:`bibtex file <wien2k2.bib>`)
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