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We perform calculations of the CP-violating atomic and molecular electric dipole moments (EDM) induced by the interaction of the nuclear Schiff moments with electrons. EDM of atoms Eu, Dy, Gd, Ac, Th, Pa, U, Np and Pu are of special…
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…
Spectroscopic and structural properties of methoxymethyl radical (CH$_3$OCH$_2$, RDME) are determined using explicitly correlated ab initio methods. This radical of astrophysical and atmospheric relevance has not been fully characterized at…
The topological properties of Bloch bands are intimately tied to the structure of their electronic wavefunctions within the unit cell of a crystal. Here, we show that scanning tunneling microscopy (STM) measurements on the prototypical…
The critical phenomena associated to the liquid to solid transition of quasi-two-dimensional vibrated granular systems is studied using molecular dynamics simulations of the inelastic hard sphere model. The critical properties are…
The electric dipole moment (EDM) of the top quark is calculated in a model with a vector like multiplet which mixes with the third generation in an extension of the MSSM. Such mixings allow for new CP violating phases. Including these new…
Transition metal dichalcogenides (TMDs) are a class of two-dimensional (2D) materials been widely studied for emerging electronic properties. In this work, we use computational simulations to examine the water adsorption on TMDs…
Given growing interest in optical-frequency magnetic dipole transitions, we use intermediate coupling calculations to identify strong magnetic dipole emission lines that are well suited for experimental study. The energy levels for all…
Chiral phase transition in thermal QCD is studied by using the Dyson-Schwinger (DS) equation in the real time hard thermal loop approximation. Our results on the critical temperature and the critical coupling are significantly different…
We propose an accurate and efficient method to compute vibrational spectra of molecules, based on exact diagonalization of an algebraically calculated matrix based on powers of Morse coordinate. The present work focuses on the 1D potential…
We propose here a formal foundation for practical calculations of vibrational mode lifetimes in solids. The approach is based on a recursion method analysis of the Liouvillian. From this we derive the lifetime of a vibrational mode in terms…
Vibrational-excitation cross sections of ground electronic state of carbon dioxide molecule by electron-impact through the CO2-(2\Pi) shape resonance is considered in the separation of the normal modes approximation. Resonance curves and…
The interaction of standard model's particles with the axionic Dark Matter field may generate oscillating nuclear electric dipole moments (EDMs), oscillating nuclear Schiff moments and oscillating nuclear magnetic quadrupole moments (MQMs)…
In a two-part publication, we propose and analyze a formal foundation for practical calculations of vibrational mode lifetimes in solids. The approach is based on a recursion method analysis of the Liouvillian. In the first part, we derived…
When molecules whose collision induced vibrational decay rates are small are probed by molecular absorption spectroscopic (MAS) techniques the absorption signal can, under certain conditions, be reduced and distorted. The reason has been…
We report on a search for Interstellar CH2D+. Four transitions occur in easily accessible portions of the spectrum; we report on emission at the frequencies of these transitions toward high column density star-forming regions. While the…
A shape phase transition between stable octupole deformation and octupole vibrations in Th nuclei is analyzed in a microscopic framework based on nuclear density functional theory. The relativistic functional DD-PC1 is used to calculate…
Transition-metal dichalcogenides (TMDs) show unique physical, optical, and electronic properties. The known phases of TMDs are 2H and 3R in bulk form, 1T and associated reconstructions, and 1H in monolayer form. This paper reports a…
Transition metal dichalcogenides (TMDs) are regarded as a possible materials platform for quantum information science and related device applications. In TMD monolayers, the dephasing time and inhomogeneity are crucial parameters for any…
Manipulation of intrinsic electron degrees of freedom, such as charge and spin, gives rise to electronics and spintronics, respectively. Electrons in monolayer materials with a honeycomb lattice structure, such as the Transition-Metal…