arXiv subjects

Hitesh J. Changlani

Publications and source records attributed to Hitesh J. Changlani.

47 records · Page 3Linked to original sources

arXiv2016

Charge density waves in disordered media circumventing the Imry-Ma argument

Two powerful theoretical predictions, Anderson localization and the Imry-Ma argument, impose significant restrictions on the phases of matter that can exist in the presence of even the smallest amount of disorder in one-dimensional systems. These predictions forbid conducting states and ordered states respectively. It was thus remarkable that a mechanism to circumvent Anderson localization relying on the presence of correlated disorder was found, that is also realized in certain biomolecular systems. In a similar manner, we show that the Imry-Ma argument can be circumvented resulting in the formation of stable ordered states with discrete broken symmetries in disordered one dimensional systems. Specifically, we simulate a family of Hamiltonians of spinless fermions with correlated disorder and interactions, where we find that a charge density wave is stable up to a finite critical disorder strength. Having circumvented the Imry-Ma mechanism, we then investigate other mechanisms by which disorder can destroy an ordered state.

cond-mat.dis-nn↗

arXiv2015

Efficient heat-bath sampling in Fock space

We introduce an algorithm for sampling many-body quantum states in Fock space. The algorithm efficiently samples states with probability approximately proportional to an arbitrary function of the second-quantized Hamiltonian matrix element connecting the sampled state to the current state. We apply the new sampling algorithm to the recently-developed Semistochastic Full Configuration Interaction Quantum Monte Carlo method (S-FCIQMC), a semistochastic implementation of the power method for projecting out the ground state energy in a basis of Slater determinants. The heat-bath sampling requires modest additional computational time and memory compared to uniform sampling but results in newly-spawned weights that are approximately of the same magnitude, thereby greatly improving the efficiency of projection. A comparison in efficiency between uniform and approximate heat-bath sampling is performed on the all-electron nitrogen dimer at equilibrium in Dunning's cc-pVXZ basis sets with X in {D, T, Q, 5}, demonstrating a large gain in efficiency that increases with basis set size. In addition, a comparison in efficiency is performed on three all-electron first-row dimers, B_2, N_2, and F_2, in a cc-pVQZ basis, demonstrating that the gain in efficiency compared to uniform sampling also increases dramatically with the number of electrons.

cond-mat.str-el↗

arXiv2015

Density-matrix based determination of low-energy model Hamiltonians from ab initio wavefunctions

We propose a way of obtaining effective low energy Hubbard-like model Hamiltonians from ab initio Quantum Monte Carlo calculations for molecular and extended systems. The Hamiltonian parameters are fit to best match the ab initio two-body density matrices and energies of the ground and excited states, and thus we refer to the method as ab initio density matrix based downfolding (AIDMD). For benzene (a finite system), we find good agreement with experimentally available energy gaps without using any experimental inputs. For graphene, a two dimensional solid (extended system) with periodic boundary conditions, we find the effective on-site Hubbard $U^{*}/t$ to be $1.3 \pm 0.2$, comparable to a recent estimate based on the constrained random phase approximation. For molecules, such parameterizations enable calculation of excited states that are usually not accessible within ground state approaches. For solids, the effective Hamiltonian enables large scale calculations using techniques designed for lattice models.

cond-mat.str-el↗

arXiv2015

Schwinger boson mean field perspective on emergent spins in diluted Heisenberg antiferromagnets

Using an adaptation of Schwinger boson mean field theory (SBMFT) for nonuniform systems, we study the nature of low-energy spin excitations on the square and Bethe lattice at their percolation threshold. The optimal SBMFT parameters are interpreted as on-site potentials and pairing amplitudes, which enables an explanation of why emergent local moments develop in this system on dilution [L. Wang and A. W. Sandvik, Phys. Rev. Lett. 97, 117204 (2006); H.J. Changlani et al., ibid 111, 157201 (2013)] and why the corresponding single particle frequencies are driven to anomalously low values. We discuss how our mean field calculations suggest the strong link between the presence of sublattice imbalance and long range antiferromagnetic order, and why linear spin wave theory is inadequate for capturing this relation. Within the SBMFT framework, we also extract an energy scale for the interaction between emergent moments, which show qualitative agreement with many-body calculations.

cond-mat.str-el↗

arXiv2015

Phase diagram of the $Z_3$ Parafermionic Chain with Chiral Interactions

Parafermions are exotic quasiparticles with non-Abelian fractional statistics that can be realized and stabilized in 1-dimensional models that are generalizations of the Kitaev p-wave wire. We study the simplest generalization, i.e. the $Z_3$ parafermionic chain. Using a Jordan-Wigner transform we focus on the equivalent three-state chiral clock model, and study its rich phase diagram using the density matrix renormalization group technique. We perform our analyses using quantum entanglement diagnostics which allow us to determine phase boundaries, and the nature of the phase transitions. In particular, we study the transition between the topological and trivial phases, as well as to an intervening incommensurate phase which appears in a wide region of the phase diagram. The phase diagram is predicted to contain a Lifshitz type transition which we confirm using entanglement measures. We also attempt to locate and characterize a putative tricritical point in the phase diagram where the three above mentioned phases meet at a single point.

cond-mat.str-el↗

arXiv2014

Density-matrix based numerical methods for discovering order and correlations in interacting systems

We review recently introduced numerical methods for the unbiased detection of the order parameter and/or dominant correlations, in many-body interacting systems, by using reduced density matrices. Most of the paper is devoted to the "quasi-degenerate density matrix" (QDDM) which is rooted in Anderson's observation that the degenerate symmetry-broken states valid in the thermodynamic limit, are manifested in finite systems as a set of low-energy "quasi-degenerate" states (in addition to the ground state). This method, its original form due to Furukawa et al.[Phys. Rev. Lett. 96, 047211 (2006)], is given a number of improvements here, above all the extension from two-fold symmetry breaking to arbitrary cases. This is applied to two test cases (1) interacting spinless hardcore bosons on the triangular lattice and (2) a spin-1/2 antiferromagnetic system at the percolation threshold. In addition, we survey a different method called the "correlation density matrix", which detects (possibly long-range) correlations only from the ground state, but using the reduced density matrix from a cluster consisting of two spatially separated regions.

cond-mat.str-el↗

arXiv2014

Stochastically Projecting Tensor Networks

We apply a series of projection techniques on top of tensor networks to compute energies of ground state wave functions with higher accuracy than tensor networks alone with minimal additional cost. We consider both matrix product states as well as tree tensor networks in this work. Building on top of these approaches, we apply fixed-node quantum Monte Carlo, Lanczos steps, and exact projection. We demonstrate these improvements for the triangular lattice Heisenberg model, where we capture up to 57 percent of the remaining energy not captured by the tensor network alone. We conclude by discussing further ways to improve our approach.

cond-mat.str-el↗

arXiv2013

Emergent Spin Excitations in a Bethe Lattice at Percolation

We study the spin 1/2 quantum Heisenberg antiferromagnet on a Bethe lattice diluted to the percolation threshold. Dilution creates areas of even/odd sublattice imbalance resulting in "dangling spins" (L. Wang and A. W. Sandvik, Phys. Rev. Lett. 97, 117204 (2006); Phys. Rev. B 81, 054417 (2010)). These collectively act as "emergent" spin 1/2 degrees of freedom and are responsible for the creation of a set of low lying "quasidegenerate states". Using Density Matrix Renormalization Group (DMRG) calculations, we detect the presence and location of these emergent spins. We find an effective Hamiltonian of these emergent spins, with Heisenberg interactions that decay exponentially with the distance between them.

cond-mat.str-el↗

arXiv2013

Heisenberg antiferromagnet on Cayley trees: low-energy spectrum and even/odd site imbalance

To understand the role of local sublattice imbalance in low-energy spectra of s=1/2 quantum antiferromagnets, we study the s=1/2 quantum nearest neighbor Heisenberg antiferromagnet on the coordination 3 Cayley tree. We perform many-body calculations using an implementation of the density matrix renormalization group (DMRG) technique for generic tree graphs. We discover that the bond-centered Cayley tree has a quasidegenerate set of a low-lying tower of states and an "anomalous" singlet-triplet finite-size gap scaling. For understanding the construction of the first excited state from the many-body ground state, we consider a wave function ansatz given by the single-mode approximation, which yields a high overlap with the DMRG wave function. Observing the ground-state entanglement spectrum leads us to a picture of the low-energy degrees of freedom being "giant spins" arising out of sublattice imbalance, which helps us analytically understand the scaling of the finite-size spin gap. The Schwinger-boson mean-field theory has been generalized to nonuniform lattices, and ground states have been found which are spatially inhomogeneous in the mean-field parameters.

cond-mat.str-el↗

arXiv2012

Semistochastic Projector Monte Carlo Method

We introduce a semistochastic implementation of the power method to compute, for very large matrices, the dominant eigenvalue and expectation values involving the corresponding eigenvector. The method is semistochastic in that the matrix multiplication is partially implemented numerically exactly and partially with respect to expectation values only. Compared to a fully stochastic method, the semistochastic approach significantly reduces the computational time required to obtain the eigenvalue to a specified statistical uncertainty. This is demonstrated by the application of the semistochastic quantum Monte Carlo method to systems with a sign problem: the fermion Hubbard model and the carbon dimer.

cond-mat.str-el↗

arXiv2009

Approximating strongly correlated spin and fermion wavefunctions with correlator product states

We explore correlator product states for the approximation of correlated wavefunctions in arbitrary dimensions. We show that they encompass many interesting states including Laughlin's quantum Hall wavefunction, Huse and Elser's frustrated spin states, and Kitaev's toric code. We further establish their relation to common families of variational wavefunctions, such as matrix and tensor product states and resonating valence bond states. Calculations on the Heisenberg and spinless Hubbard models show that correlator product states capture both two-dimensional correlations (independent of system width) as well as non-trivial fermionic correlations (without sign problems). In one-dimensional simulations, correlator product states appear competitive with matrix product states with a comparable number of variational parameters, suggesting they may eventually provide a route to practically generalise the density matrix renormalisation group to higher dimensions.

cond-mat.str-el↗