Related papers: Structural and Electronic Instabilities in Polyace…
We present an implementation of the relativistic quantum-chemical density matrix renormalization group (DMRG) approach based on a matrix-product formalism. Our approach allows us to optimize matrix product state (MPS) wave functions…
We introduce a hybrid approach to applying the density matrix renormalization group (DMRG) to continuous systems, combining a grid approximation along one direction with a finite Gaussian basis set along the remaining two directions. This…
Several years back Angliker et al [Chem. Phys. Lett. 1982, 87, 208] predicted nonacene to be the first linear acene with the triplet state $1^{3}B_{2u}$ as the ground state, instead of the singlet $1^{1}A_{g}$ state. However, contrary to…
By using long-range interacting polygons, we experimentally probe the coupling between particle shape and long-range interaction. For two typical space-filling polygons, square and triangle, we find two types of coupling modes that…
A momentum-space approach of the density-matrix renormalization-group (DMRG) method is developed. Ground state energies of the Hubbard model are evaluated using this method and compared with exact diagonalization as well as quantum…
A robust theory of the mechanism of pair density wave (PDW) superconductivity (i.e. where Cooper pairs have nonzero center of mass momentum) remains elusive. Here we explore the triangular lattice $t$-$J$-$V$ model, a low-energy effective…
We present an analytical calculation of the local density of states correlation function $ \beta(\omega) $ in the L\'evy-Rosenzweig-Porter random matrix ensemble at energy scales larger than the level spacing but smaller than the bandwidth.…
We investigate the relaxation energies and excited state geometries of the light emitting polymer, poly(para-phenylene). We solve the Pariser-Parr-Pople-Peierls model using the density matrix renormalization group method. We find that the…
The Density Matrix Renormalization Group (DMRG) has become a powerful numerical method that can be applied to low-dimensional strongly correlated fermionic and bosonic systems. It allows for a very precise calculation of static, dynamical…
We study the statistical and dynamic properties of the systems characterized by an ultrametric space of states and translationary non-invariant symmetric transition matrices of the Parisi type subjected to "locally constant" randomization.…
We derive electronic structure models for weakly interacting bilayers such as graphene-graphene and graphene-hexagonal boron nitride, based on density functional theory calculations followed by Wannier transformation of electronic states.…
The possibility of the superradiant phase transition in polarizable materials described by the minimal-coupling Hamiltonian with the longitudinal dipole-dipole interaction is examined. We try to reduce the Hamiltonian into the Dicke one in…
We study the ground state of few bosons with repulsive dipole-dipole interaction in a quasi-one-dimensional harmonic trap by means of the exact diagonalization method. Up to three interaction regimes are found depending on the strength of…
We show that, in certain circumstances, exact excitation energies appear as locally site-independent (or flat) modes if one records the excitation spectrum of the effective Hamiltonian while sweeping through the lattice in the variational…
We analysed the ground state energy of some dimerized spin-1/2 transverse XX and Heisenberg chains with Dzyaloshinskii-Moriya (DM) interaction to study the influence of the latter interaction on the spin-Peierls instability. We found that…
Based on the contractor renormalization group (CORE) method and the density matrix renormalization group (DMRG) method, a new computational scheme, which is called the block density matrix renormalization group with effective interactions…
A linear spin wave analysis of dimerization of alternating Heisenberg system with spins $s_{1}$ and $s_{2}$ on linear chain as well as square lattice is presented. Among the several possible dimerized configurations considered in two…
We show that a resonant pulsed field can induce a steady superconducting state even in the deep Mott insulating phase of the dimerized Hubbard model. The superconductivity found here in the non-equilibrium steady state is due to the $\eta…
Within a rigid-band correlated electron model for oligomers of poly-(paraphenylene) (PPP) and poly-(paraphenylenevinylene) (PPV), we show that there exist two fundamentally different classes of two-photon A$_g$ states in these systems to…
We show that some gapped quantum many-body systems have a ground state degeneracy that is stable to long-range (e.g., power-law) perturbations, in the sense that any ground state energy splitting induced by such perturbations is…