307 citations · 1.3k across the 22 of their papers we have counts for
14 papers · 1 filter
The Three-Legged Tree Tensor Networks with SU(2)- and molecular point group symmetry
Klaas Gunst, Frank Verstraete, Dimitri Van Neck
We extend the three-legged tree tensor network state (T3NS) [J. Chem. Theory Comput. 2018, 14, 2026-2033] by including spin and the real abelian point group symmetries. T3NS inters…
T3NS: three-legged tree tensor network states
Klaas Gunst, Frank Verstraete, Sebastian Wouters +2
We present a new variational tree tensor network state (TTNS) ansatz, the three-legged tree tensor network state (T3NS). Physical tensors are interspersed with branching tensors. P…
A variational method for integrability-breaking Richardson-Gaudin models
Pieter W. Claeys, Jean-Sébastien Caux, Dimitri Van Neck +1
We present a variational method for approximating the ground state of spin models close to (Richardson-Gaudin) integrability. This is done by variationally optimizing eigenstates o…
Block product density matrix embedding theory for strongly correlated spin systems
Klaas Gunst, Sebastian Wouters, Stijn De Baerdemacker +1
Density matrix embedding theory (DMET) is a relatively new technique for the calculation of strongly correlated systems. Recently, block product DMET (BPDMET) was introduced for th…
Projected seniority-two orbital optimization of the Antisymmetric Product of one-reference orbital Geminal
Katharina Boguslawski, Paweł Tecmer, Peter A. Limacher +5
We present a new, non-variational orbital-optimization scheme for the Antisymmetric Product of one-reference orbital Geminal wave function. Our approach is motivated by the observa…
Projector quantum Monte Carlo with matrix product states
Sebastian Wouters, Brecht Verstichel, Dimitri Van Neck +1
We marry tensor network states (TNS) and projector quantum Monte Carlo (PMC) to overcome the high computational scaling of TNS and the sign problem of PMC. Using TNS as trial wavef…
Exact solution of the pairing Hamiltonian by deforming the pairing algebra
Mario Van Raemdonck, Stijn De Baerdemacker, Dimitri Van Neck
The present paper makes a connection between collective bosonic states and the exact solutions of the pairing Hamiltonian. This makes it possible to investigate the ef…
CheMPS2: a free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry
Sebastian Wouters, Ward Poelmans, Paul W. Ayers +1
The density matrix renormalization group (DMRG) has become an indispensable numerical tool to find exact eigenstates of finite-size quantum systems with strong correlation. In the…
Efficient description of strongly correlated electrons with mean-field cost
Katharina Boguslawski, Paweł Tecmer, Paul W. Ayers +3
We present an efficient approach to the electron correlation problem that is well-suited for strongly interacting many-body systems, but requires only mean-field-like computational…
Linear Response Theory for the Density Matrix Renormalization Group: Efficient Algorithms for Strongly Correlated Excited States
Naoki Nakatani, Sebastian Wouters, Dimitri Van Neck +1
Linear response theory for the density matrix renormalization group (DMRG-LRT) was first presented in terms of the DMRG renormalization projectors [Dorando et al., J. Chem. Phys. 1…
Variational optimization of the 2DM: approaching three-index accuracy using extended cluster constraints
Brecht Verstichel, Ward Poelmans, Stijn De Baerdemacker +2
The reduced density matrix is variationally optimized for the two-dimensional Hubbard model. Exploiting all symmetries present in the system, we have been able to study …
The Thouless theorem for matrix product states and subsequent post-density matrix renormalization group methods
Sebastian Wouters, Naoki Nakatani, Dimitri Van Neck +1
The similarities between Hartree-Fock (HF) theory and the density-matrix renormalization group (DMRG) are explored. Both methods can be formulated as the variational optimization o…
High-accuracy ab-initio quantum chemistry by means of an SU(2) x U(1) invariant matrix product state Ansatz: the static second hyperpolarizability
Sebastian Wouters, Peter A. Limacher, Dimitri Van Neck +1
We have implemented the single-site density matrix renormalization group algorithm for the variational optimization of SU(2) \times U(1) (spin and particle number) invariant matrix…
A primal-dual semidefinite programming algorithm tailored to the variational determination of the two-body density matrix
B. Verstichel, H. van Aggelen, D. Van Neck +2
The quantum many-body problem can be rephrased as a variational determination of the two-body reduced density matrix, subject to a set of N-representability constraints. The mathem…