Related papers: Accurate ab initio spin densities
I revisit the infinite-size variant of the Density Matrix Renormalization Group (iDMRG) algorithm for obtaining a fixed-point translationally invariant matrix product wavefunction in the context of one-dimensional quantum systems. A crucial…
We describe how density-matrix renormalization group (DMRG) can be used to solve the full-CI problem in quantum chemistry. As an illustration of the potential of this method, we apply it to a paramagnetic molecule. In particular, we show…
A new approach to derivation of various effective-field approximation for lattice spin models is presented. It is shown that it can give a number of methods, including the DMRG method, that can be used to find generally inhomogeneous…
We use CheMPS2, our free open-source spin-adapted implementation of the density matrix renormalization group (DMRG) [Wouters et al., Comput. Phys. Commun. 185, 1501 (2014)], to study the lowest singlet, triplet, and quintet states of the…
Well-mixed chemical reaction networks (CRNs) contain many distinct chemical species with copy numbers that fluctuate in correlated ways. While those correlations are typically monitored via Monte Carlo sampling of stochastic trajectories,…
A simplified version of White's Density Matrix Renormalization Group (DMRG) algorithm has been used to find the ground state of the free particle on a tight-binding lattice. We generalize this algorithm to treat the tight-binding particle…
Magnetic nanomaterials are considered, formed by magnetic nanomolecules with high spins. The problem of spin reversal in these materials is analyzed, which is of interest for the possible use of such materials for quantum information…
We investigate the critical behavior of the S=1/2 alternating Heisenberg chain using the density matrix renormalization group (DMRG). The ground-state energy per spin and singlet-triplet energy gap are determined for a range of…
We present two new analytic formulations of the Density Matrix Renormalization Group Method. In these formulations we combine the block renormalization group (BRG) procedure with Variational and Fokker-Planck methods. The BRG method is used…
Understanding the quantum dynamics of spin defects and their coherence properties requires accurate modeling of spin-spin interaction in solids and molecules, for example by using spin Hamiltonians with parameters obtained from…
I report results of a density matrix renormalization group (DMRG) study of a model for the two dimensional spin-gapped system CaV$_4$O$_9$. This study represents the first time that DMRG has been used to study a two dimensional system on…
We developed a novel direct algorithm to derive the mass-ratio distribution (MRD) of short-period binaries from an observed sample of single-lined spectroscopic binaries (SB1). The algorithm considers a class of parameterized MRDs and finds…
We present an application of autoregressive neural networks to Monte Carlo simulations of quantum spin chains using the correspondence with classical two-dimensional spin systems. We use a hierarchy of neural networks capable of estimating…
Modern problems in magnetization dynamics require more and more the numerical determination of the spin-wave spectra and -dispersion in magnetic systems where analytic theories are not yet available. Micromagnetic simulations can be used to…
Strong-Disorder Renormalization Group (SDRG), despite being a relatively simple real-space renormalization procedure, provides in principle exact results on the critical properties at the infinite-randomness fixed point of random quantum…
We study one dimensional models of diatomic molecules where both the electrons and nuclei are treated as quantum particles, going beyond the usual Born-Oppenheimer approximation. The continuous system is approximated by a grid which…
In the heavy quark limit inclusive production rate of a heavy meson can be factorized, in which the nonperturbative effect related to the heavy meson can be characterized by matrix elements defined in the heavy quark effective theory. Using…
We extend the active space decomposition method, recently developed by us, to more than two active sites using the density matrix renormalization group algorithm. The fragment wave functions are described by complete or restricted…
We introduce time-dependent density matrix renormalization group (tDMRG) as a solution to long standing problem in spintronics -- how to describe spin-transfer torque (STT) between flowing spins of conduction electrons and localized spins…
We devise a deterministic algorithm to efficiently sample high-quality solutions of certain spin-glass systems that encode hard optimization problems. We employ tensor networks to represent the Gibbs distribution of all possible…