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Bulletin of the American Physical Society

Representing Gutzwiller-Projected Variational Wavefunctions as Matrix Product States

Amir M-Aghaei, Bela Bauer, Kirill Shtengel, Ryan V. Mishmash

Published Mar 9, 2018• 0 citations
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The Gutzwiller variational wavefunction (GVW) is commonly employed to capture correlation effects in condensed matter systems such as ferromagnets, ultracold bosonic gases, correlated superconductors, etc. By noticing that the grand-canonical and number-conserving Gutzwiller Ansätze are in fact the zero-order approximation of an expansion in the truncation parameter of a Matrix Product State (MPS), we argue that MPSs, and the algorithms used to operate on them, are not only flexible computational tools but also a unifying theoretical framework that can be used to generalize and improve on the GVW. In fact, we show that a number-conserving GVW is less efficient in capturing the ground state of a quantum system than a more general MPS which can be optimized with comparable computational resources. Moreover, we suggest a corrected time-dependent density matrix renormalization group algorithm that ensures the conservation of the expectation value of the number of particles when a GVW or a MPS are not explicitly number-conserving. The GVW dynamics obtained with our algorithm compares very well with the exact one in 1D. Most importantly, the algorithm works in any dimension for a GVW. We thus expect it to be of great value in the study of the dynamics of correlated quantum systems.
Matrix product states (MPS) and ``dressed'' ground states of quadratic mean fields (e.g., Gutzwiller projected Slater determinants) are both important classes of variational wave functions. This latter class has played important roles in understanding superconductivity and quantum spin liquids. We present a method to obtain both the finite and infinite MPS (iMPS) representation of the ground state of an arbitrary fermionic quadratic mean-field Hamiltonian (which in the simplest case is a Slater determinant and in the most general case is a Pfaffian). We also show how to represent products of such states (e.g., determinants times Pfaffians). From this representation one can project to single occupancy and evaluate the entanglement spectra after Gutzwiller projection. We then obtain the MPS and iMPS representation of Gutzwiller projected mean-field states that arise from the variational slave-fermion approach to the S=1S=1S=1 bilinear-biquadratic quantum spin chain. To accomplish this, we develop an approach to orthogonalize degenerate iMPS to find all the states in the degenerate ground-state manifold. We find the energies of the MPS and iMPS states match the variational energies closely, indicating the method is accurate and there is minimal loss due to truncation error. We then present an exploration of the entanglement spectra of projected slave-fermion states, exploring their qualitative features and finding good qualitative agreement with the respective exact ground-state spectra found from density matrix renormalization group.
Recent work by Wu et al. [arXiv:1910.11011] proposed a numerical method, so-called matrix product operator--matrix product state (MPO-MPS) method, by which several types of quantum many-body wave functions, in particular, the projected Fermi sea state, can be efficiently represented as a tensor network. In this paper, we generalize the MPO-MPS method to study Gutzwiller projected paired states of fermions, where the maximally localized Wannier orbitals for Bogoliubov quasiparticles/quasiholes have been adapted to improve the computational performance. The study of SO(3)SO(3)SO(3)-symmetric spin-1 chains reveals that this new method has better performance than variational Monte Carlo for gapped states and similar performance for gapless states. Moreover, we demonstrate that dynamic correlation functions can be easily evaluated by this method cooperating with other MPS-based accurate approaches, such as the Chebyshev MPS method.