相关论文: A Mathematical Theory for Vibrational Levels Assoc…
We present the first nonperturbative numerical calculations of the nonrelativistic hydrogen spectrum as predicted by first-quantized electrodynamics with nonlinear Maxwell-Born-Infeld field equations. We also show rigorous upper and lower…
Ideal MHD provides an accurate description of low-frequency Alfv\'en waves in fully ionized plasmas. However, higher frequency waves in many plasmas of the solar atmosphere cannot be correctly described by ideal MHD and a more accurate…
For rovibronic states corresponding to the $B$ and $B'\ ^1\Sigma_\text{u}^+$ electronic states of the hydrogen molecule, the pre-Born--Oppenheimer (four-particle) non-relativistic energy is converged to a 1-3 parts-per-billion relative…
In this work, we investigate the nonlinear dynamics of molecules with an octahedral configuration, with particular focus on sulfur hexafluoride SF6. Under the assumption of isotypic nonresonance, we apply the method of equivariant gradient…
An alternative method is introduced to solve a simple two-dimensional models describing vibrational excitation and dissociation processes during the electron-molecule collisions. The model works with one electronic and one nuclear degree of…
High-level vibrational calculations have been used to investigate anharmonicity in a wide variety of materials using density-functional-theory (DFT) methods. We have developed a new and efficient approach for describing strongly-anharmonic…
The vibrational frequency of hydrogen molecules has been observed to increase strongly with He concentration in helium hydrogen fluid mixtures. This has been associated with He-H interactions, either directly through chemical bonding, or…
The major goal of the high-precision studies of ro-vibrational states in the hydrogen molecular ions is to provide an alternative way for improving the electron-to-proton mass ratio, or the atomic mass of electron. By now the complete set…
A new simulation box setup is introduced for the precise description of the wavepacket evolution of two electronic systems in intense laser pulses. In this box, the regions of the hydrogen molecule H$_{2} $, and singly and doubly ionized…
We develop the relativistic theory of hydrodynamic fluctuations for application to high energy heavy ion collisions. In particular, we investigate their effect on the expanding boost-invariant (Bjorken) solution of the hydrodynamic…
Three simple $7-, (7+3)-, 10-$parametric trial functions for the ${\rm H}_3^+$ molecular ion are presented. Each of them provides subsequently the most accurate approximation for the Born-Oppenheimer ground state energy among…
An algebraic method especially suited to describe strongly anharmonic vibrational spectra in molecules may be an appropriate framework to study vibrational spectra of Na$^+_n$ clusters, where nearly flat potential energy surfaces and the…
It is observed that low-lying transitions of an interstitial hydrogen adatom on a metallic lattice correspond classically to dipoles oscillating at frequencies where band electrons typically have a low electromagnetic absorption. Such…
The quantum electrodynamic Araki-Sucher correction arising from the interaction between electrons and nuclei is calculated for rovibrational energy levels of the hydrogen molecule and its isotopologues. The corresponding expectation value…
The axisymmetric form of the hydrodynamic equations within the smoothed particle hydrodynamics (SPH) formalism is presented and checked using idealized scenarios taken from astrophysics (free fall collapse, implosion and further pulsation…
The hydrogen molecule contains the basic ingredients to understand the chemical bond, i.e, a pair of electrons. We show a step to understand The Correspondence Principle for chaotic system in the Chemical World. The hydrogen molecule is…
Through density functional theory and molecular dynamics calculations, we have analysed various metal polyhydrides to understand whether hydrogen is present in its molecular or atomic form - tetrahydrides of Ba,Sr,Ra, Cs and La;…
We apply the Anharmonic Oscillator Symmetry Model to the description of vibrational excitations in ${\cal D}_{3h}$ and ${\cal T}_d$ molecules. A systematic procedure can be used to establish the relation between the algebraic and…
This paper presents the calculation of the electric transition dipole moment in a pre-Born-Oppenheimer framework. Electrons and nuclei are treated equally in terms of the parametrization of the non-relativistic total wave function, which is…
The intermolecular interactions in the title compound are investigated using self-consistent charge density functional based tight binding molecular dynamics. Emphasis is put on the analysis of correlated motions of ion pairs using ideas of…