mirror of
https://github.com/triqs/dft_tools
synced 2024-12-26 14:23:38 +01:00
72 lines
2.7 KiB
ReStructuredText
72 lines
2.7 KiB
ReStructuredText
|
.. index:: TRIQS collaboration
|
|||
|
|
|
|||
|
|
.. _collaboration:
|
|||
|
|
|
|||
|
|
The TRIQS collaboration
|
|||
|
|
========================
|
|||
|
|
|
|||
|
|
TRIQS core
|
|||
|
|
----------
|
|||
|
|
|
|||
|
|
Basic components and python libraries
|
|||
|
|
.....................................
|
|||
|
|
|
|||
|
|
**Main developers**: M. Ferrero, O. Parcollet
|
|||
|
|
|
|||
|
|
**Contributors**: L. Boehnke (Legendre Green's functions)
|
|||
|
|
|
|||
|
|
|
|||
|
|
C++ ``triqs::arrays`` library
|
|||
|
|
.............................
|
|||
|
|
|
|||
|
|
**Developer**: O. Parcollet
|
|||
|
|
|
|||
|
|
|
|||
|
|
Quantum impurity solvers
|
|||
|
|
-------------------------
|
|||
|
|
|
|||
|
|
Continuous-time quantum Monte Carlo
|
|||
|
|
...................................
|
|||
|
|
|
|||
|
|
The CTQMC algorithm implemented in TRIQS is based on a hybridization expansion
|
|||
|
|
of the partition function as described in references [#ctqmc1]_ and [#ctqmc2]_.
|
|||
|
|
The computation of the imaginary-time Green's function has been improved with
|
|||
|
|
the use of Legendre polynomials following reference [#ctqmc3]_.
|
|||
|
|
|
|||
|
|
**Main developers**: M. Ferrero, O. Parcollet
|
|||
|
|
|
|||
|
|
**Contributors**: L. Boehnke (measures in Legendre basis)
|
|||
|
|
|
|||
|
|
**Related papers**:
|
|||
|
|
|
|||
|
|
.. [#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>`)
|
|||
|
|
.. [#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>`)
|
|||
|
|
.. [#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>`)
|
|||
|
|
|
|||
|
|
Hubbard I
|
|||
|
|
..........
|
|||
|
|
|
|||
|
|
**Main developer**: L. Pourovskii
|
|||
|
|
|
|||
|
|
|
|||
|
|
Wien2TRIQS
|
|||
|
|
-----------------
|
|||
|
|
|
|||
|
|
The developement of an interface between the Wien2k electronic structure
|
|||
|
|
package and TRIQS has been motivated by a scientific collaboration between the
|
|||
|
|
research groups of Antoine Georges, Silke Biermann (Ecole Polytechnique),
|
|||
|
|
Olivier Parcollet (CEA Saclay). A first step has been the definition of the
|
|||
|
|
framework and the construction of the projective Wannier functions as input for
|
|||
|
|
the DMFT calculations [#wien2k1]_. This has been followed by the introduction
|
|||
|
|
of full charge self-consistency [#wien2k2]_, necessary for total energy
|
|||
|
|
calculations.
|
|||
|
|
|
|||
|
|
**Developers**: M. Aichhorn, L. Pourovskii, V. Vildosola, C. Martins
|
|||
|
|
|
|||
|
|
**Related papers**:
|
|||
|
|
|
|||
|
|
.. [#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>`)
|
|||
|
|
.. [#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>`)
|
|||
|
|
|
|||
|
|
|