Related papers: Excited state geometry optimization with the densi…
The density-matrix renormalization group (DMRG) applied to transfer matrices allows it to calculate static as well as dynamical properties of one-dimensional quantum systems at finite temperature in the thermodynamic limit. To this end the…
Organic semiconducting polymers are currently of broad interest as potential low-cost materials for photovoltaic and light-emitting display applications. I will give an overview of our work in developing a consistent quantum dynamical…
The emerging field of polaritonic chemistry explores the behavior of molecules under strong coupling with cavity modes. Despite recent developments in ab initio polaritonic methods for simulating polaritonic chemistry under electronic…
We present an excited-state-specific coupled-cluster approach in which both the molecular orbitals and cluster amplitudes are optimized for an individual excited state. The theory is formulated via a pseudoprojection of the traditional…
In this paper, we perform large-scale electron-correlated calculations of optoelectronic properties of rectangular graphene-like polycyclic aromatic hydrocarbon molecules. Theoretical methodology employed in this work is based upon…
A brief review of the interaction-round-a-face (IRF) density-matrix renormalization-group (DMRG) method. We have demonstrated the numerical superiority of IRF-DMRG method applied to SU(2) invariant quantum spin chains over the conventional…
The framework of phenomenological quark-antiquark potential (Coulomb plus linear confinement) model with the Gaussian wave function is used for detailed study of masses of the ground, orbitally and radially excited states of heavy-light…
The Density Matrix Renormalization Group (DMRG) algorithm is a powerful tool for solving eigenvalue problems to model quantum systems. DMRG relies on tensor contractions and dense linear algebra to compute properties of condensed matter…
We propose a new approach to implement the density matrix renormalization group (DMRG) in two dimensions. With this approach the initial blocks of a L by L lattice are built up directly from the matrix elements of a (L-1) by L-1) lattice…
We apply the DMRG method to the BCS pairing Hamiltonian which describes ultrasmall superconducting grains. Our version of the DMRG uses the particle (hole) states around the Fermi level as the system block (environment). We observe a smooth…
The physical properties of a quantum many-body system can, in principle, be determined by diagonalizing the respective Hamiltonian, but the dimensions of its matrix representation scale exponentially with the number of degrees of freedom.…
A systematic method for determining correlated wavefunctions of extended systems in the ground and excited states is presented. It allows to fully exploit the power of quantum-chemical programs designed for correlation calculations of…
We introduce and systematically investigate a novel approach combining the Uhlmann gauge bundle with Density Matrix Renormalization Group (DMRG) and Matrix Product State (MPS) techniques to enhance the representation and preservation of…
The influence of interactions in a reservoir coupled to a level on the width of the filling as a function of the chemical potential and the position of the level is studied. The density matrix renormalization group (DMRG) method is used to…
The ground state of 2D electrons in high magnetic field is studied by the density matrix renormalization group method. The ground state energy, excitation gap, and pair correlation functions are systematically calculated at various fillings…
New qualitative picture of vortex length-scale dependence has been found in recent electrical transport measurements performed on strongly anisotropic BSCCO single crystals in zero magnetic field. This indicates the need for a better…
When twisted to angles near 1{\deg}, graphene multilayers provide a new window on electron correlation physics by hosting gate-tuneable strongly-correlated states, including insulators, superconductors, and unusual magnets. Here we report…
The Density Matrix Renormalization Group (DMRG) method with periodic boundary conditions is introduced for two dimensional classical spin models. It is shown that this method is more suitable for derivation of the properties of infinite 2D…
Density functional theory (DFT) has greatly expanded our ability to affordably compute and understand electronic ground states, by replacing intractable {\em ab initio} calculations by models based on paradigmatic physics from high- and…
The recently proposed Clifford augmented density matrix renormalization group (CA-DMRG) method seamlessly integrates Clifford circuits with matrix product states, and takes advantage of the expression power from both. CA-DMRG has been shown…