相关论文: H_3^{++}$ molecular ion in a strong magnetic field…
We study the question about existence i.e. stability with respect to dissociation of the spin-quartet, permutation- and reflection-symmetric ${}^4(-3)^+_g$ ($S_z=-3/2, M=-3$) state of the $(\alpha\alpha e e e)$ Coulomb system: the ${\rm…
The $He^+$ ion on a plane subject to a constant magnetic field $B$ perpendicular to the plane is considered taking into account the finite nuclear mass. Factorization of eigenfunctions permits to reduce the four-dimensional problem to…
This study provides insights into the static and dynamic quantum properties of the trinuclear high-spin iron(III) molecular complex $[\mathrm{Fe}_3\mathrm{Cl}_3(\mathrm{saltag^\mathrm{Br}})(\mathrm{py})_6]\mathrm{ClO}_4$ to be further…
Highly accurate variational calculations, based on a few-parameter, physically adequate trial function, are carried out for the hydrogen molecule \hh in inclined configuration, where the molecular axis forms an angle $\theta$ with respect…
The existence of bound states of the system $(\al,e,e,e)$ in a magnetic field $B$ is studied using the variational method. It is shown that for $B \gtrsim 0.13\,{\rm a.u.}$ this system gets bound with total energy below the one of the…
The one-electron Li-containing Coulomb systems of atomic type $(li, e)$ and molecular type $(li, li, e)$, $(li, \alpha, e)$ and $(li, p, e)$ are studied in the presence of a strong magnetic field $B \leq 10^{7}$ a.u. in the non-relativistic…
The present study is devoted to the possibility that tri-atomic molecules were formed during or shortly after the Big Bang. For this purpose we consider the ordinary $H_3^{+}$ and $H_3$ and the primitive tri-atomic molecular system,…
The electronic structure of the ground and some excited states of neutral atoms with the nuclear charge numbers $1\leq Z \leq 10$ and their single positive ions are investigated by means of our 2D mesh Hartree-Fock method for strong…
The electronic structure of the hydrogen molecule is investigated for the parallel configuration. The ground states of the Sigma manifold are studied for ungerade and gerade parity as well as singlet and triplet states covering a broad…
We present the theory of radiative association of atoms and molecules, and we apply it to the (H$_2$-H$^-$) van der Waals complex. We discuss the possibility for the H$_3^-$ ion to be formed in the interstellar medium in an environment with…
The magnetic dipole transitions in the homonuclear molecular ion H$_2^+$ are obtained for a wide range of $v$ and $L$, vibrational and total orbital momentum quantum numbers, respectively. Calculations are performed in the nonrelativistic…
Using a single trial function we perform an accurate calculation of the ground state $1\sigma_g$ of the hydrogenic molecular ion $H^+_2$ in a constant uniform magnetic field ranging $0-10^{13}$ G. We show that this trial function also makes…
A non-relativistic classification of charged molecular hydrogenic, helium and mixed helium-hydrogenic chains with one or two electrons which can exist in a strong magnetic field $B \lesssim 10^{16} $G is given. It is shown that for both…
We study the energy levels of a single particle in a homogeneous magnetic field and in an axially symmetric external potential. For potentials that are superharmonic off the central axis, we find a general ``pseudoconcave'' ordering of the…
The electronic structure of the hydrogen molecule in a magnetic field is investigated for parallel internuclear and magnetic field axes. The lowest states of the $\Pi$ manifold are studied for spin singlet and triplet$(M_s = -1) $ as well…
Using a first principles based, magnetic tight-binding total energy model, the magnetization energy and moments are computed for various ordered spin configurations in the high pressure polymorphs of iron (fcc, or $\gamma$-Fe, and hcp, or…
A detailed study of the lowest states $1s_0, 2p_{-1}, 2p_0$ of the hydrogen atom placed in a magnetic field $B\in(0-4.414\times 10^{13} {\rm G})$ and their electromagnetic transitions ($1s_{0} \leftrightarrow 2p_{-1}$ and $ 1s_{0}…
Ho$_3$ScO$_6$ harbours a frustrated Maple Leaf Lattice (MLL). It crystalizes in the Mg$_3$TeO$_6$-type structure, and has a centrosymmetric trigonal space group (R$\bar{3}$). This system contains stacked layers of magnetic rings along the…
The lowest bound states of the hydrogen negative ion and negative donor systems in a homogeneous magnetic field are investigated theoretically via a full configuration interaction approach with an anisotropic Gaussian basis set. The broad…
The hexagonal polymorph of Ba$_3$Tb(BO$_3$)$_3$ contains Tb$^{3+}$ ions on a quasi-2D triangular lattice, resulting in geometric magnetic frustration. Powder samples of Ba$_3$Tb(BO$_3$)$_3$ have been investigated using specific heat, powder…