相关论文: Isotope shift on the chlorine electron affinity re…
The specific mass shift in the electron affinity between ^{35}Cl and ^{37}Cl has been determined by tunable laser photodetachment spectroscopy to be -0.51(14) GHz. The isotope shift was observed as a difference in the onset of the…
This work presents a method for the ab initio calculation of isotope shift in atoms and ions with one valence electron above closed shells. As a zero approximation we use relativistic Hartree-Fock and then calculate correlation corrections.…
The electron affinities eA(S) are measured for the two isotopes 32S and 34S (16752.9753(41) and 16752.9776(85) cm-1, respectively). The isotope shift in the electron affinity is found to be positive, eA(34S)-eA(32S) = +0.0023(70) cm-1, but…
Electron affinity, electronegativity and electrophilicity of several neutral atoms and their positive and negative ions are calculated at various levels of theory using different basis sets in the gas phase as well as in the presence of…
Interfaces between aqueous electrolytes and nanoporous carbons are involved in a number of technological applications such as energy storage and capacitive deionization. The disordered nature of the carbon materials makes it challenging to…
Isotope shifts have emerged as a sensitive probe of new bosons that couple to electrons and neutrons, and of nuclear structure. The recent Hz- or even sub-Hz-level isotope shift measurements across different elements call for a global…
Measured and calculated positron binding energies are presented for a range of hydrocarbons with up to six carbon atoms (viz., methane, acetylene, ethylene, ethane, propane, butane, and hexane) and their chlorinated counterparts. Both…
We present an accurate ab initio method of calculating isotope shifts and relativistic shifts in atomic spectra. We test the method on neutral carbon and three carbon ions. The relativistic shift of carbon lines may allow them to be…
We present an ab initio method of calculation of isotope shift and relativistic shift in atoms with a few valence electrons. It is based on an energy calculation involving combination of the configuration interaction method and many-body…
This study investigated the consistency/inconsistency of carbon isotope compositions of chlorine-isotopologue pairs, e.g., 12C235Cl4 vs. 12C13C35Cl4, of individual organochlorines including two chloroethylenes, three polychlorinated…
We study the electron correlation effects in the calculations of isotope shifts in Na and Mg+ using the relativistic coupled-cluster method. The trends of the correlation effects are explicitly discussed and comparison of the present…
We propose a novel approach to probe new fundamental interactions using isotope shift spectroscopy in atomic clock transitions. As concrete toy example we focus on the Higgs boson couplings to the building blocks of matter: the electron and…
Longstanding problems in the comparison of very accurate hyperfine-shift measurements to theory were partly overcome by precise measurements on few-electron highly-charged ions. Still the agreement between theory and experiment is…
The electron mass is known to be sensitive to local fluctuations in the electromagnetic field, and undergoes a small shift in a thermal field. It was claimed recently that a very large electron mass shift should be expected near the surface…
We present an ab initio method of calculation of isotope shift in atoms with a few valence electrons, based on the configuration-interaction calculation of energy. The main motivation for developing the method comes from the need to analyze…
Air-ionization chambers have been used in radiotherapy and particle therapy for decades. However, fundamental parameters in action in the detector responses are sparsely studied. In this work we aimed to measure the electronic attachment,…
With increasing demand for accurate calculation of isotope shifts of atomic systems for fundamental and nuclear structure research, an analytic energy derivative approach is presented in the relativistic coupled-cluster theory framework to…
We perform first-principles structure optimization, phonon frequency and finite temperature molecular dynamics calculations based on density functional theory to study the interaction of chlorine atoms with graphene predicting the existence…
Electron-hole asymmetry is a fundamental property in solids that can determine the nature of quantum phase transitions and the regime of operation for devices. The observation of electron-hole asymmetry in graphene and recently in the phase…
Odd electrons of benzenoid units and correlation of these electrons having different spins are the main concepts of the molecular theory of graphene. In contrast to the theory of aromaticity, the molecular theory is based on the fact that…