相关论文: An ab initio variationally computed room-temperatu…
Recent observations revealed loop-like structures at very small scales visible in observables that sample transition region (TR) and coronal temperatures. Their formation remains unclear. We study an example of a bipolar system in realistic…
In this paper, we have studied the energy spectra and B(E2) transition probabilities of 124-130Ba isotopes in the shape phase transition region between the spherical and gamma unstable deformed shapes. We have used a transitional…
Several distant icy worlds have atmospheres that are in vapor-pressure equilibrium with their surface volatiles, including Pluto, Triton, and, probably, several large KBOs near perihelion. Studies of the volatile and thermal evolution of…
A comprehensive study of the mass sensitivity of the vibration-rotation-inversion transitions of $^{14}$NH$_3$, $^{15}$NH$_3$, $^{14}$ND$_3$, and $^{15}$ND$_3$ is carried out variationally using the TROVE approach. Variational calculations…
Energies of 5l_j (l= s, p, d, f, g) and 4f_j states in neutral Ag and Ag-like ions with nuclear charges Z = 48 - 100 are calculated using relativistic many-body perturbation theory. Reduced matrix elements, oscillator strengths, transition…
GdFe3(BO3)4 exhibits a structural phase transition at 156 K, antiferromagnetic order of the Fe3+ moments at 36 K followed by a spin reorientation phase transition at 9 K. The reorientation phase transition is studied through dielectric,…
The determination of thermal and vibrational relaxation rates of triatomic systems suitable for application in hypersonic model calculations is discussed. For this, potential energy surfaces for ground and electronically excited state…
Energies and lifetimes are reported for the lowest 136 levels of Fe XIV, belonging to the (1s$^2$2s$^2$2p$^6$) 3s$^2$3p, 3s3p$^2$, 3s$^2$3d, 3p$^3$, 3s3p3d, 3p$^2$3d, 3s3d$^2$, 3p3d$^2$ and 3s$^24\ell$ configurations. Additionally,…
Numerical 3D radiative (M)HD simulations of solar convection are used to understand the physical properties of the solar photosphere. To validate this approach, it is important to check that no excessive thermodynamic fluctuations arise as…
Motivated by the recent neutron diffraction experiment on $YVO_3$, we consider a microscopic model where each $V^{3+}$ ion is occupied by two 3d electrons of parallel spins with two fold degenerate orbital configurations. The mean field…
The emergent two-dimensional (2D) ferromagnetic materials with unique magnetic properties have endowed great potential for next-generation spintronic devices with extraordinary merits of high flexibility, easy controllability, and high…
Well-controlled sub-unit-cell layer-by-layer epitaxial growth of spinel alumina is achieved at room temperature on the TiO2-terminated SrTiO3 single crystalline substrate. By tailoring the interface redox reaction, two-dimensional electron…
With employing the SO(6)representation of eigenstates, the energy spectra and quadrupole transition rates of SU(3)<->SU(3)* transition region are considered for systems with total boson number N=2,3,4. The apparent level crossing and…
Theoretical calculations are contributing a significantly higher proportion of data to contemporary spectroscopic databases, which have traditionally relied on experimental observations and semi-empirical models. It is now a common…
Since it has been shown that the silicon trimer has a highly multi-reference character, accurate multi-reference configuration interaction calculations are performed to elucidate its electronic manifold. Emphasis is given to the long range…
To study the temperature in a gas subjected to electromagnetic radiations, one may use the Radiative Transfer equations coupled with the Navier-Stokes equations. The problem has 7 dimensions; however with minimal simplifications it is…
The development of visual luminescent thermometers capable of exhibiting pronounced color changes in response to temperature variations requires the rational design of phosphors with high spectrally selective thermal sensitivity. In this…
We present a unified variational treatment of the magnetic dipole matrix elements, Einstein coefficients and line strength for general open-shell diatomic molecules in the general purpose diatomic code Duo. Building on previous work in…
We report a detailed high-resolution powder neutron diffraction investigation of the structural behaviour of the multiferroic hexagonal polymorph of YMnO3 between room temperature and 1403 K. The study was aimed at resolving previous…
A Fourier Transform (FT) absorption spectrum of room temperature NH3 in the region 7400 - 8600 cm-1 is analysed using a variational line list and ground state energies determined using the MARVEL procedure. The spectrum was measured by Dr…