Computational Method for Evaluating the Thermoelectric Power Factor for Organic Materials Modeled by the Holstein Model: A Time-Dependent Density Matrix Renormalization Group Formalism.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00651
Abstract: Organic/polymeric materials are of emerging importance for thermoelectric conversion. The soft nature of these materials implies strong electron-phonon coupling, often leading to carrier localization. This poses great challenges for the conventional Boltzmann transport description based… read more here.
Keywords: renormalization group; time; density matrix; time dependent ... See more keywords
Density Matrix Renormalization Group for Transcorrelated Hamiltonians: Ground and Excited States in Molecules.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c01207
Abstract: We present the theory of a density matrix renormalization group (DMRG) algorithm which can solve for both the ground and excited states of non-Hermitian transcorrelated Hamiltonians and show applications in molecular systems. Transcorrelation (TC) accelerates… read more here.
Keywords: density matrix; excited states; ground; ground excited ... See more keywords
Time-Dependent Density Matrix Renormalization Group Algorithms for Nearly Exact Absorption and Fluorescence Spectra of Molecular Aggregates at Both Zero and Finite Temperature.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.8b00628
Abstract: We implement and apply time-dependent density matrix renormalization group (TD-DMRG) algorithms at zero and finite temperature to compute the linear absorption and fluorescence spectra of molecular aggregates. Our implementation is within a matrix product state/operator… read more here.
Keywords: matrix renormalization; time dependent; dependent density; density matrix ... See more keywords
Density-matrix renormalization group method for the conductance of one-dimensional correlated systems using the Kubo formula
Sign Up to like & getrecommendations! Published in 2017 at "Physical Review B"
DOI: 10.1103/physrevb.96.195111
Abstract: We improve the density-matrix renormalization group (DMRG) evaluation of the Kubo formula for the zero-temperature linear conductance of one-dimensional correlated systems.The dynamical DMRG is used to compute the linear response of a finite system to… read more here.
Keywords: renormalization group; matrix renormalization; one dimensional; conductance ... See more keywords
Adaptive density matrix renormalization group for disordered systems
Sign Up to like & getrecommendations! Published in 2018 at "Physical Review B"
DOI: 10.1103/physrevb.98.195115
Abstract: We propose a simple modification of the density matrix renormalization group (DMRG) method in order to tackle strongly disordered quantum spin chains. Our proposal, akin to the idea of the adaptive time-dependent DMRG, enables us… read more here.
Keywords: density matrix; renormalization group; spin; matrix renormalization ... See more keywords
Quantum criticality on a chiral ladder: An SU(2) infinite density matrix renormalization group study
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review B"
DOI: 10.1103/physrevb.99.205121
Abstract: In this paper we study the ground state properties of a ladder Hamiltonian with chiral $SU(2)$-invariant spin interactions, a possible first step towards the construction of truly two dimensional non-trivial systems with chiral properties starting… read more here.
Keywords: matrix renormalization; density matrix; infinite density; spin ... See more keywords
Corner transfer matrix renormalization group analysis of the two-dimensional dodecahedron model.
Sign Up to like & getrecommendations! Published in 2020 at "Physical review. E"
DOI: 10.1103/physreve.102.032130
Abstract: We investigate the phase transition of the dodecahedron model on the square lattice. The model is a discrete analog of the classical Heisenberg model, which has continuous O(3) symmetry. In order to treat the large… read more here.
Keywords: matrix renormalization; dodecahedron model; transfer matrix; model ... See more keywords