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Solving the multi-site and multi-orbital Dynamical Mean Field Theory using Density Matrix Renormalization
(Frontiers Research Foundation, 2018-02)
We implement an efficient numerical method to calculate response functions of complex impurities based on the Density Matrix Renormalization Group (DMRG) and use it as the impurity-solver of the Dynamical Mean Field Theory ...
Analysis of the segmented contraction of basis functions using density matrix theory
(Wiley-blackwellMaldenEUA, 2006)
Incorporating dynamic correlation into the variational determination method of the second-order reduced density matrix in the doubly occupied configuration interaction space
(John Wiley & Sons Inc, 2020-04)
The variational determination of the second-order reduced density matrices arising from N-electron doubly occupied configuration interaction wave functions has recently been proposed as a method to describe systems possessing ...
Noncollinear spin-spiral phase for the uniform electron gas within reduced-density-matrix-functional theory
(American Physical Society, 2010-01)
The noncollinear spin-spiral density wave of the uniform electron gas is studied in the framework of reduced-density-matrix-functional theory. For the Hartree-Fock approximation, which can be obtained as a limiting case ...
Quantum mutual information, fragile systems and emergence
(MDPI, 2022-11)
In this paper, we present an analytical description of emergence from the density matrix framework as a state of knowledge of the system, and its generalized probability formulation. This description is based on the idea ...
Mott transition in the Hubbard model away from particle-hole symmetry
(American Physical SocCollege PkEUA, 2007)
Theoretical methods for calculations of optical phonons in BiOBr: Analysis and correction of propagated errors
(2018-08-01)
Theoretical and experimental methods were employed to investigate the vibrational modes of BiOBr. Wavenumber prediction and assignments of the infrared and Raman modes were performed using density functional theory and ...
Numerical methods for nanoscopic systems based on density matrix renormalization
(American Scientific Publishers, 2008-12)
The Density Matrix Renormalization Group (DMRG) has become a powerful numerical method that can be applied to nanoscopic and low-dimensional strongly correlated fermionic and bosonic systems. It allows for a very precise ...
Benchmarking the Variational Reduced Density Matrix Theory in the Doubly Occupied Configuration Interaction Space with Integrable Pairing Models
(American Chemical Society, 2018-08)
The variational reduced density matrix theory has been recently applied with great success to models within the truncated doubly occupied configuration interaction space, which corresponds to the seniority zero subspace. ...