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We present a Mathematica codebase for computing $\ell$-multilinear ranks ($\ell$-multiranks) of multiqudit quantum states using tensor-flattening techniques. By calculating the ranks of all bipartition-induced matricizations, the method…
Few-electron quantum dots are investigated in the regime of strong tunneling to the leads. Inelastic cotunneling is used to measure the two-electron singlet-triplet splitting above and below a magnetic field driven singlet-triplet…
A large collaboration carefully benchmarks 20 first principles many-body electronic structure methods on a test set of 7 transition metal atoms, and their ions and monoxides. Good agreement is attained between the 3 systematically converged…
There has been much activity in the measurement of the elastic electromagnetic proton and neutron form factors in the last decade, and the quality of the data has been greatly improved by performing double polarization experiments, in…
We report on the formation of the high-energy empty-state resonance in the electronic spectrum of the iron adatom on the Pt(111) surface. By using the combination of the first-principles methods and the finite-temperature exact…
We compare for Ho metal the x-ray absorption spectrum and the resonant soft x-ray diffraction spectra obtained at the $3d_{5/2} \to 4f$ ($M_5$) resonance for the magnetic 1st and 2nd order diffraction peaks $(0,0,\tau)$ and $(0,0,2\tau)$…
The possible existence of higher multi-quark flavor multiplets of baryons is investigated. We argue that the S-matrix should have poles with any quantum numbers, including those which are exotic. This argument provides a novel justification…
The historical calculation of spectroscopic properties for trivalent lanthanide ions is a complex multistep process that has been prone to inaccuracies. In this work, we revise the parametric semi-empirical Hamiltonian and address…
Iterative Monte Carlo algorithm has been constructed and tested for quantification of X-ray fluorescence analysis in order to determine the atomic composition of solid materials. The calculation model uses simulation code MCNP6 that…
The cross over from low to high carrier densities in a many-polaron system is studied in the framework of the one-dimensional spinless Holstein model, using unbiased numerical methods. Combining a novel quantum Monte Carlo approach and…
The multi-layer $S={1\over 2}$ square lattice Heisenberg antiferromagnet with up to 6 layers is studied via various series expansions. For the systems with an odd number of coupled planes, the ground-state energy, staggered magnetization,…
The emergent behavior of quantum materials is governed by their electronic structure, which can be experimentally probed by photoemission spectroscopy techniques that generate a four-dimensional dataset of energy and momentum. However, the…
Imaging structures at the molecular level is a fast developing interdisciplinary research field that spans across the boundaries of physics and chemistry. High spatial resolution images of molecules can be obtained with photons or ultrafast…
Most modern calculations of many-electron atoms use basis sets of atomic orbitals. An accurate account for the electronic correlations in heavy atoms is very difficult computational problem and optimization of the basis sets can reduce…
Analysis of experimental data shows that the metal--insulator transition is possible in materials composed of atoms of only metallic elements. Such a transition may occur in spite of the high concentration of valence electrons. It requires…
A new approach for describing the effective electronic states of "atoms in compounds" to study the properties of molecules and condensed matter which are circumscribed by the operators heavily concentrated in atomic cores is proposed. Among…
Variational algorithms for strongly correlated chemical and materials systems are one of the most promising applications of near-term quantum computers. We present an extension to the variational quantum eigensolver that approximates the…
Energy levels of germanium, tin and lead together with their single, double and triple ionized positive ions have been calculated using the $V^{N-M}$ approximation suggested in the previous work (Dzuba, physics/0501032) (M=4 - number of…
Accurate ab initio calculations of the energy levels of the superheavy elements Z=112 are presented. Relativistic Hartree-Fock and configuration interaction methods are combined with the many-body perturbation theory to construct the…
Resonance lines encode rich information about astrophysical sources and their environments, yet fully analytic treatments of multi-line radiative transfer remain almost entirely unexplored. We present exact, closed-form solutions for…