Related papers: Microscopic study of the He2-SF6 trimers

In this first-principles study, we investigated the thermoelectric properties of the full-Heusler compound CsK$_2$Sb at different compressive strains. This material exhibits a valence band structure with significant effective mass…

We study the antiferromagnetic spin-half Heisenberg ladder in the presence of an additional frustrating rung spin which is motivated and relevant also for the description of real two-dimensional materials such as the two-dimensional trimer…

The density matrix renormalization group and quantum Monte Carlo method are used to describe coupled trimer chains in a magnetic field h. The Hamiltonian contains exchange terms involving the intra-trimer coupling J1 (taken as the unit of…

The formation/binding energetics and length scales associated with the interaction between He atoms and grain boundaries in BCC alpha-Fe was explored. Ten different low Sigma grain boundaries from the <100> and <110> symmetric tilt grain…

A mechanism of disappearance and formation of the Efimov levels of the helium ^4He trimer is studied when the force of the interatomic interaction is changed. It is shown that these levels arise from virtual levels which are in turn formed…

We theoretically investigate the resonant inelastic X-ray scattering (RIXS) spectra in a quasi-1D chain of weakly coupled frustrated spin-1/2 trimers, as realized in Na$_{2}$Cu$_{3}$Ge$_{4}$O$_{12}$, with Cu $d^{9}$ 1/2 spins. We compute…

Tuning the electronic structures of two-dimensional (2D) material-based heterostructures is of crucial importance for their use in functional next-generation electronics. Here, through angle-resolved photoemission spectroscopy with…

We propose a novel mathematical approach for the calculation of near-zero energy states by solving potentials which are isospectral with the original one. For any potential, families of strictly isospectral potentials (with very different…

The band structures of 6H and 4H SiC calculated by means of the FP-LMTO method are used to determine the effective mass tensors for their conduction-band minima. The results are shown to be consistent with recent optically detected…

We consider solutions to the Lam\'e system in two dimensions. By using systematic way, based on layer potential techniques and the field expansion (FE) method (formal derivation), we establish a rigorous asymptotic expansion for the…

We present spectroscopic observations obtained with the infrared Spitzer Space Telescope, which provide insight into the H$_2$ physics and gas energetics in photodissociation Regions (PDRs) of low to moderate far-ultraviolet (FUV) fields…

Originally motivated by a stability problem in Fluid Mechanics, we study the spectral and pseudospectral properties of the differential operator $H_\epsilon = -\partial_x^2 + x^2 + i\epsilon^{-1}f(x)$ on $L^2(R)$, where $f$ is a real-valued…

We use exact four-boson scattering equations in the momentum-space framework to study the universal properties of shallow Efimov tetramers and their dependence on the two-boson scattering length. We demonstrate that, in contrast to previous…

We present a novel method that appropriately handles both dynamical and static electron correlation in a balanced manner, using a perturbation theory on a spin-extended Hartree-Fock (EHF) wave function reference. While EHF is a suitable…

We investigate a spin-1/2 antiferromagnetic chain with trimerized exchange couplings relevant to Na$_2$Cu$_3$Ge$_4$O$_{12}$. We show that the low-energy Hilbert space maps onto an effective Heisenberg chain of composite spin-1/2 trimer…

We apply a hard-core version of the Faddeev differential equations to the ^3He^4He_2 three-atomic system. Using these equations we calculate the binding energy of the ^3He^4He_2 trimer with the LM2M2 potential by Aziz and Slaman and more…

Motivated by the homometallic intertwining double-chain ferrimagnets A_3_Cu_3_(PO_4_)_4_ (A=Ca,Sr,Pb), we investigate the low-energy structure of their model Hamiltonian H=\sum_n_[J_1_(S_{n :1}_+S_{n :3}_)…

We prove that the cut-system complex of a sutured compression body, with vertices representing cut-systems and edges corresponding to handleslides, becomes simply connected when six kinds of 2-cells are attached. Moreover, we define tight…

The magnetic properties of the ferromagnetic-ferromagnetic-antiferromagnetic trimerized spin-1/2 Heisenberg chain are studied theoretically. The high temperature susceptibilty and the ground state saturation magnetic field are calculated…

The $\beta$-correction to the Hartmann-Tran (HT) profile, recently introduced to model the spectral shape of a molecular transition strongly affected by the Dicke narrowing effect (Konefal et al., JQSRT 242 (2020) 106784), the HT profile…