Related papers: Maximally valent orbitals in systems with non-idea…

We investigate and provide optimal sets of reaction coordinates for mixed pairs of molecules displaying polar, uniaxial, or spherical symmetry in two and three dimensions. These coordinates are non-redundant, i.e., they implicitly involve…

We present a new approach to treat correlations in nonequilibrium quantum many-particle system. The method is based on ideas of configuration interaction theory of exact nonperturbative ground state electronic structure calculations. We use…

We revisit the Bose-Mesner algebra of the perfect matching association scheme. Our main results are: 1. An inductive algorithm, based on solving linear equations, to compute the eigenvalues of the orbital basis elements given the central…

A system of harmonic oscillators coupled via nonlinear interaction is a fundamental model in many branches of physics, from biophysics to electronics and condensed matter physics. In quantum optics, weak nonlinear interaction between light…

The nuclear many-body problem for medium-mass systems is commonly addressed using wave-function expansion methods that build upon a second-quantized representation of many-body operators with respect to a chosen computational basis. While…

In this work we show how constructing Wigner functions of heterogeneous quantum systems leads to new capability in the visualization of quantum states of atoms and molecules. This method allows us to display quantum correlations…

In this paper, a new parametrization of the relative motion between two satellites orbiting a central body is presented. The parametrization is based on the nodal elements: a set of angles describing the orbit geometry with respect to the…

We derive an exact expression for the orbital magnetization of electrons with short-range interactions (such as density-density interactions) in terms of exact zero-frequency response functions of the zero-field system. The result applies…

We consider the effect of non-reciprocity in a binary mixture of self-propelled particles with anti-aligning interactions, where a particle of type A reacts differently to a particle of type B than vice versa. Starting from a well-known…

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…

We propose a mixed-configuration approximation based on single-band impurity solvers to efficiently study nonequilibrium multi-orbital systems at moderate computational cost. In this work, we merge the approach with the so-called auxiliary…

We calculate the nonlinear cotunneling conductance through a quantum dot with 3 electrons occupying the three highest lying energy levels. Starting from a 3-orbital Anderson model, we apply a generalized Schrieffer-Wolff transformation to…

The interplay of magnetic fields and interacting particles can lead to exotic phases of matter exhibiting topological order and high degrees of spatial entanglement. While these phases were discovered in a solid-state setting, recent…

Localization of molecular orbitals finds its importance in the representation of chemical bonding (and anti-bonding) and in the local correlation treatments beyond mean-field approximation. In this paper, we generalize the intrinsic atomic…

We analytically tackle opto-vibronic interactions in molecular systems driven by either classical or quantum light fields. In particular, we examine a simple model of molecules with two relevant electronic levels, characterized by potential…

ew-electron systems confined in quasi one-dimensional quantum dots are studied by the configuration interaction approach. We consider the parity symmetry of states forming Wigner molecules in large quantum dots and find that for the…

Conditions are studied under which there can exist a quasiequilibrium mixture of itinerant and localized bosonic atoms in an optical lattice, even at zero temperature and at integer filling factor, when such a coexistence is impossible for…

We introduce a new type of Wannier functions (WFs) obtained by minimizing the conventional spread functional with a penalty term proportional to the variance of the spread distribution. This modified Wannierisation scheme is less prone to…

The ground state of atoms from H to Ar was calculated using a self-interaction correction to local and gradient dependent density functionals. The correction can significantly improve the total energy and makes the orbital energies…

We propose an experimentally feasible scheme to generate nonmaximal entanglement between two atomic ensembles. The degree of entanglement is readily tunable. The scheme involves laser manipulation of atomic ensembles, adjustable quarter-…