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Singlet fission, the molecular process through which photons are effectively converted into pairs of lower energy triplet excitons, holds promise as a means of boosting photovoltaic device efficiencies. In the preceding article of this…
The three-nucleon bound state problem is studied employing a nucleon-nucleon potential obtained from a basic quark-quark interaction in a five-channel Faddeev calculation. The obtained triton binding energy is comparable to those predicted…
We study two-electron states confined in two coupled quantum dots formed by a short-range potential in a two-dimensional topological insulator. It is shown that there is a fairly wide range of the system parameters, where the ground state…
We present a six-dimensional potential energy surface for the H2-H2 dimer based on ab initio electronic structure calculations. The surface is intended to describe accurately the bound and quasibound states of the dimers H2-H2, D2-D2, and…
We report energy levels, radiative rates (A-values) and lifetimes for the astrophysically-important Be-like ion C III. For the calculations, 166 levels belonging to the $n \le$ 5 configurations are considered and the {\sc grasp}…
Variational methods are used to calculate structural and thermodynamical properties of a titrating polyelectrolyte in a discrete representation. The Coulomb interactions are emulated by harmonic repulsive forces, the force constants being…
Magnetic systems with frustration often have large classical degeneracy. We show that their low-energy physics can be understood as dynamics within the space of classical ground states. We demonstrate this mapping in a family of quantum…
Striving to define very accurate vertical transition energies, we perform both high-level coupled cluster (CC) calculations (up to CCSDTQP) and selected configuration interaction (sCI) calculations (up to several millions of determinants)…
We theoretically study the superconducting properties of multi-band two-dimensional transition metal oxide superconductors by analyzing not only the role played by conventional singlet pairings, but also by the triplet order parameters,…
Triplet supercurrents in multilayer ferromagnetic Josephson junctions with misaligned magnetization can penetrate thicker ferromagnetic barriers compared to the singlet component. Although the static properties of these junctions have been…
A new potential energy surface for the electronic ground state of the simplest triatomic anion H3- is determined for a large number of geometries. Its accuracy is improved at short and large distances compared to previous studies. The…
A strong coupling between an electronic cavity and a quantum dot has been recently demonstrated [Phys. Rev. Lett. 115, 166603 (2015)] and described in a comprehensive theoretical framework [Phys. Rev. B 96, 235431 (2017)]. Here, we focus on…
In this paper we investigate the role of electron correlation in predicting the S$_1$-S$_0$ and T$_1$-S$_0$ excitation energies and hence, the singlet-triplet gap ($\Delta$E$_{ST}$) in a set of cyclazines which act as templates for…
Using a transport model coupled with a phase-space coalescence after-burner we study the triton-$^3$He ratio, relative and differential transverse flows in semi-central $^{132}Sn+^{124}Sn$ reactions at a beam energy of 400 MeV/A. The…
Energy spectrum fine structure of triplet two-electron states is investigated theoretically. Spin-orbit interaction induced terms in the effective Hamiltonian of electron-electron interaction are derived for zinc-blende lattice…
The low-temperature driven or thermally activated motion of several condensed matter systems is often modeled by the dynamics of interfaces (co-dimension-1 elastic manifolds) subject to a random potential. Two characteristic quantitative…
The third-order particle-hole ring diagrams are evaluated for a NN-contact interaction of the Skyrme type. The pertinent four-loop coefficients in the energy per particle $\bar E(k_f) \sim k_f^{5+2n}$ are reduced to double-integrals over…
Chirality manifests across multiple scales, yielding unique phenomena that break mirror symmetry. In chiral materials, unexpectedly large spin-filtering or photogalvanic effects have been observed even in materials composed of light…
The hexagonal 4d ruthenates Ba3MRu2O9 host structural dimers and exhibit a delicate balance of competing interactions. Hund's coupling, trigonal crystal-field splitting, and hopping for $a_{1g}$ and $e_g^\pi$ orbitals all fall within a…
We show that multichannel quantum defect theory (MQDT) can be applied successfully as an efficient computational method for cold molecular collisions in Li+NH, which has a deep and strongly anisotropic interaction potential. In this…