相关论文: A global \textit{ab initio} dipole moment surface …
We present a study of dissociative electron attachment and vibrational excitation processes in electron collisions with the CF$_3$Cl molecule. The calculations are based on the two-dimensional nuclear dynamics including the C-Cl symmetric…
We extend the theory of dipole moments in crystalline insulators to higher multipole moments. In this paper, we expand in great detail the theory presented in Ref. 1, and extend it to cover associated topological pumping phenomena, and a…
Methyl cyanide is an important trace molecule in star-forming regions. It is one of the more common molecules used to derive kinetic temperatures in such sources. As preparatory work for Herschel, SOFIA, and in particular ALMA we want to…
We describe the first precision measurement of the electron's electric dipole moment (eEDM, $d_e$) using trapped molecular ions, demonstrating the application of spin interrogation times over 700 ms to achieve high sensitivity and stringent…
Polarizable force fields are gradually becoming a common choice for ionic soft matter, in particular for molecular dynamics (MD) simulations of ionic liquids (ILs) and deep eutectic solvents (DESs). The CL&Pol force field introduced in 2019…
New ab initio potential energy surfaces for the doublet pi ground electronic state of the Ar-SH complex are presented, calculated at the RCCSD(T)/aug-cc-pV5Z level. Weakly bound rotation-vibration levels are calculated using coupled-channel…
Context: Dimethyl sulfide (DMS; CH$_3$SCH$_3$) is an organosulfur compound that has been suggested as a potential biosignature in exoplanetary atmospheres. In addition to its tentative detections toward the sub-Neptune planet K2-18b, DMS…
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…
Molecules consisting of a donor and an acceptor moiety can exhibit large intrinsic dipole moments. Upon deposition on a metal surface, the dipole may be effectively screened and the charge distribution altered due to hybridization with…
The magnitude of the relative permittivity of the ferroelectric nematic phase (NF) is under a lively scientific discussion since the phase was recently discovered. Dielectric spectroscopy measurements (DSM) give a huge value of relative…
We present three-dimensional (3D) electron-positron momentum densities in Mg and Cd, reconstructed from 2D angular correlation of annihilation radiation data. By folding densities from the extended momentum space into the first Brillouin…
Transition dipole moments (TDM) between energy bands of solids deserve special attention nowadays as intense lasers can easily drive non-adiabatic transitions of excited electron wave packets across the Brillouin zones. The TDM is required…
Monolayer transition metal dichalcogenides (TMDs) show an optimal surface-to-volume ratio and are thus promising candidates for novel molecule sensor devices. It was recently predicted that a certain class of molecules exhibiting a large…
Chloromethane is the only organochloride detected in space to date. Its recent observation towards the low-mass protostar IRAS 16293-2422 with ALMA offers a prompt for new laboratory studies of CH$_3$Cl and its isotopologues. Here, we…
The long-sought dice lattice flat band has recently been discovered for the first time in two-dimensional layered electride yttrium monochloride (YCl) [Nature Communications 17, 2213 (2026)]. While essential flat band features of YCl were…
New quantum phenomena are continuously being discovered in 2D systems. In particular, the charge density wave (CDW) has the aspect of a quantum crystal with a macroscopic wave function (order parameter), so unlike quantum liquids…
We present an analysis of the electric dipole moment (EDM) of the deuteron as induced by CP-violating operators of dimension 4, 5 and 6 including theta QCD, the EDMs and color EDMs of quarks, four-quark interactions and the Weinberg…
Multidimensional coherent spectroscopy (MDCS) has been established in quantum chemistry as a powerful tool for studying the nonlinear response and nonequilibrium dynamics of molecular systems. More recently, the technique has also been…
We have investigated the chiral charge-density wave (CDW) in $1T$-VSe$_2$ using scanning tunneling microscopy (STM) measurements and optical polarimetry measurements. With the STM mesurements, we revealed that the CDW intensities along each…
In the framework of the minimal supersymmetric model extension with new scalar triplets and singlet (TNMSSM), we analyze the electric dipole moment (EDM) of neutron ($d_n$), electron EDM($d_e$), the mercury EDM($d_{Hg}$), $b$ quark ($d_b$)…