arXiv subjects

Daan Vrancken

Publications and source records attributed to Daan Vrancken.

4 recordsLinked to original sources

arXiv2026

Combining matrix product states and mean-field theory to capture magnetic order in quasi-1D cuprates

We study quasi-one-dimensional strongly correlated materials using a multi-step approach based on density functional theory, downfolding techniques, and tensor-network simulations. The downfolding procedure yields effective multiband Hubbard models that capture the competition between electron hopping and local Coulomb interactions relevant to the system's low-energy properties. The resulting multiband Hubbard models are solved using matrix product states. Applied to Sr$_2$CuO$_3$, SrBaCuO$_3$, and Ba$_2$CuO$_3$, this purely one-dimensional treatment yields no long-range magnetic order, in contrast to the magnetic ordering observed experimentally. To account for this behavior, we extend the multi-step approach by incorporating interchain couplings through a self-consistent mean-field scheme. This combined approach stabilizes finite staggered magnetizations, providing a consistent description of magnetic order in agreement with experiment. For Sr$_2$CuO$_{3.5}$ and SrCuO$_2$, we also tested an approach proposed for ladder materials, however, we find that these materials are not well suited for this approach due to the small magnitude of the intraladder hopping parameters.

cond-mat.str-el↗

arXiv2025

Quantitative Description of Strongly Correlated Materials by Combining Downfolding Techniques and Tensor Networks

We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the constrained random phase approximation to construct an effective multi-band Hubbard model, which is subsequently solved using tensor networks. Our work focuses on one-dimensional and quasi-one-dimensional materials, for which we employ the machinery of matrix product states. We apply this framework to the conjugated polymers trans-polyacetylene and polythiophene, as well as the quasi-one-dimensional charge-transfer insulator Sr2CuO3. The predicted band gaps show quantitative agreement with state-of-the-art computational techniques and experimental measurements. Beyond band gaps, tensor networks provide access to a wide range of physically relevant properties, including spin magnetization and various excitation energies. Their flexibility supports the implementation of complex Hamiltonians with longer-range interactions, while the bond dimension enables systematic control over accuracy. Furthermore, the computational cost scales efficiently with system size, demonstrating the framework's scalability.

cond-mat.str-el↗

arXiv2024

High fidelity quantum state tomography of electron-$^{14}$N nuclear hybrid spin register in diamond using Rabi oscillations

We report on a new quantum state characterisation method, which we call Rabi-based Quantum State Tomography (RQST), that we have validated on single-qubit quantum states, in particular on the electron and nuclear spins of a single nitrogen-vacancy (NV) centre in diamond, demonstrating high fidelities. The difference of RQST with conventional tomography methods is in the implementation of rotation operators and construction of density matrix from the measured data sets. We demonstrate efficient quantum state control of the electron spin at room temperature with an average fidelity of 0.995 over more than 40 measurements on different states on the Bloch sphere with a maximum fidelity of 0.99992. Also, we apply the methodology to the dark NV nuclear spin state. The state is read via the electron spin using the C-NOT two-qubit entanglement gate and demonstrate fidelities of the same order.

quant-ph↗

arXiv2024

High fidelity two-qubit quantum state tomography of Electron-14N hybrid spin register in diamond

We report here on a major improvement of the control and characterization capabilities of 14N nuclear spin of single NV centers in diamond, as well as on a new method that we have devised for characterizing quantum states, i.e. quantum state tomography using Rabi experiments. Depending on whether we use amplitude information or phase information from Rabi experiments, we define two sub-methods namely Rabi amplitude quantum state tomography (RAQST) and Rabi phase quantum state tomography (RPQST). The advantage of Rabi-based tomography methods is that they lift the requirement of unitary operations used in other methods in general and standard methods in particular. On one hand, this does not increase the complexity of the tomography experiments in large registers, and on the other hand, it decreases the error induced by MW irradiation. We used RAQST and RPQST to investigate the quality of various two-qubit pure states in our setup. As expected, test quantum states show very high fidelity with the theoretical counterpart.

quant-ph↗