Ab initio study of the phase stability of modulated structures in Co-doped Ni-Mn-In (Sn) Heusler alloys

Using ab initio calculations, the phase stability of modulated and tetragonal martensitic structures in Ni43.75Co6.25Mn43.75(In, Sn)6.25 Heusler alloys with different magnetic order is investigated. The stability against the segregation is considered by a method for generating all possible decay reactions assuming the calculated ground state energies of each composition. It is shown that the highest probable stability under equilibrium conditions is demonstrated by alloys with tetragonal martensitic structure in accordance with reactions: Ni35Co5Mn35In5 → 25Mn + 35Ni + 5Mn2InCo and Ni35Co5Mn35Sn5 → 5CoSn + 35Mn + 35Ni.

Weakly-Interacting Bose-Bose Mixtures from the Functional Renormalisation Group

We provide a detailed presentation of the functional renormalisation group (FRG) approach to weakly-interacting Bose-Bose mixtures, including a complete discussion on the RG equations. To test this approach, we examine thermodynamic properties of balanced three-dimensional Bose-Bose gases at zero and finite temperatures and find a good agreement with related works. We also study ground-state energies of repulsive Bose polarons by examining mixtures in the limit of infinite population imbalance. Finally, we discuss future applications of the FRG to novel problems in Bose-Bose mixtures and related systems.

Experimental error mitigation using linear rescaling for variational quantum eigensolving with up to 20 qubits

Quantum computers have the potential to help solve a range of physics and chemistry problems, but noise in quantum hardware currently limits our ability to obtain accurate results from the execution of quantum-simulation algorithms. Various methods have been proposed to mitigate the impact of noise on variational algorithms, including several that model the noise as damping expectation values of observables. In this work, we benchmark various methods, including a new method proposed here. We compare their performance in estimating the ground-state energies of several instances of the 1D mixed-field Ising model using the variational-quantum-eigensolver algorithm with up to 20 qubits on two of IBM's quantum computers. We find that several error-mitigation techniques allow us to recover energies to within 10% of the true values for circuits containing up to about 25 ansatz layers, where each layer consists of CNOT gates between all neighboring qubits and Y-rotations on all qubits.

Effects of the Tensor Force on the Ground Properties of Zr Isotopes

The effects of the tensor force on the ground properties of Zr isotopes are studied in the framework of the Skyrme–Hartree–Fock approach. It is found that the tensor force strongly affects the ground state energies and the geometric symmetry properties, in particular for those isotopes near N=60 region. The effects are attributed to the fact that the tensor force enlarges the spin and pseudospin symmetry breaking and therefore results in a ∼2 MeV sub-shell gap between d3/2 and s1/2 single-particle levels.

Study of the Ground-State Energies of Some Nuclei Using Hybrid Model

The quark-quark (QQ) interaction as a perturbed term to the nucleon-nucleon interaction (NN) without any coupling between them is studied in a hybrid model. This model is used to calculate the ground-state energies of 2H1 and 4He2 nuclei. In a semirelativistic framework, this model is encouraged for light nuclei and the instanton-induced interaction by using the QQ potential and the NN interaction for a small scale around the hadron boundaries. This hybrid model depends on two theories, the one-boson exchange potential (OBEP) and the Cornell-dressed potential (CDP) for QQ. A small effect of quark-quark interaction is obtained on the values of the ground-state energies, around 6.7 and 1.2 percentage for 2H1 and 4He2, respectively nuclei.

T $$ \overline{T} $$ deformation in SCFTs and integrable supersymmetric theories

We calculate the $$ \mathcal{S} $$ S -multiplets for two-dimensional Euclidean $$ \mathcal{N} $$ N = (0, 2) and $$ \mathcal{N} $$ N = (2, 2) superconformal field theories under the T$$ \overline{T} $$ T ¯ deformation at leading order of perturbation theory in the deformation coupling. Then, from these $$ \mathcal{N} $$ N = (0, 2) deformed multiplets, we calculate two- and three-point correlators. We show the $$ \mathcal{N} $$ N = (0, 2) chiral ring’s elements do not flow under the T$$ \overline{T} $$ T ¯ deformation. Specializing to integrable supersymmetric seed theories, such as $$ \mathcal{N} $$ N = (2, 2) Landau-Ginzburg models, we use the thermodynamic Bethe ansatz to study the S-matrices and ground state energies. From both an S-matrix perspective and Melzer’s folding prescription, we show that the deformed ground state energy obeys the inviscid Burgers’ equation. Finally, we show that several indices independent of D-term perturbations including the Witten index, Cecotti-Fendley-Intriligator-Vafa index and elliptic genus do not flow under the T$$ \overline{T} $$ T ¯ deformation.

Ground State Energies of Helium-Like Ions Using a Simple Parameter-Free Matrix Method

This study aims to use hydrogenic orbitals within an analytic and numeric parameter-free truncated-matrix method to solve the projected Schrödinger equation of some Helium-like ions (3 ≤ Z ≤ 10). We also derived a new analytical expression of the ion ground state energies, which was simple and accurate and improved the accuracy of the analytic calculation, numerically using Mathematica. The standard matrix method was applied, where the wave function of the ions was expanded in a finite number of eigenvectors comprising hydrogenic orbitals. The Hamiltonian of the systems was calculated using the wave function and diagonalized to obtain their ground state energies. The results showed that a simple analytic expression of the ground state energies of He-like ions was successfully derived. Although the analytic expression was derived without involving any variational parameter, it was reasonably accurate with a 0.12% error for Ne8+ ion. From this method, the accuracy of the analytic energies was also numerically improved to 0.10% error for Ne8+ ion. The results clearly showed that the energies obtained using this method were more accurate than the hydrogenic perturbation theory and the uncertainty principle-variational approach. In addition, for Z > 4, our results were more accurate than those from the geometrical model.

Variational Quantum Chemistry Programs in JaqalPaq

We present example quantum chemistry programs written with JaqalPaq, a python meta-programming language used to code in Jaqal (Just Another Quantum Assembly Language). These JaqalPaq algorithms are intended to be run on the Quantum Scientific Computing Open User Testbed (QSCOUT) platform at Sandia National Laboratories. Our exemplars use the variational quantum eigensolver (VQE) quantum algorithm to compute the ground state energies of the H2, HeH+, and LiH molecules. Since the exemplars focus on how to program in JaqalPaq, the calculations of the second-quantized Hamiltonians are performed with the PySCF python package, and the mappings of the fermions to qubits are obtained from the OpenFermion python package. Using the emulator functionality of JaqalPaq, we emulate how these exemplars would be executed on an error-free QSCOUT platform and compare the emulated computation of the bond-dissociation curves for these molecules with their exact forms within the relevant basis.