相关论文: Electron Trapping by Polar Molecules in Alkane Liq…
We present a theoretical study of electron transport through a molecule connected to two metallic nanocontacts. The system investigated is 1,4 benzene-dithiolate (BDT) chemically bonded to two Au contacts. The surface chemistry is modeled…
We demonstrate the operation of a dual-frequency Paul trap and characterize its performance by storing either electrons or calcium ions while applying two quadrupole fields simultaneously which oscillate at $\Omega_\textrm{fast} = 2\pi…
Interplay of Coulomb interaction energy, free ion entropy, and conformational elasticity is a fascinating aspect in polyelectrolytes (PEs). We develop a theory for complexation of two oppositely charged PEs, a process known to be the…
Simultaneous two-dimensional trapping of neutral dipolar molecules in low- and high-field seeking states is analyzed. A trapping potential of the order of 20 mK can be produced for molecules like ND3 with time-dependent electric fields. The…
This short paper reports a study of the electronic dissociation energies, De, of water clusters from direct ab initio (mostly CCSD(T)) calculations and the q-AQUA and MB-pol potentials. These clusters range in size from 6-25 monomers. These…
Electrodes composed of activated carbon (AC) particles can desalinate water by ion electrosorption. To describe ion electrosorption mathematically, accurate models are required for the structure of the electrical double layers (EDLs) that…
Binary mixtures of water with lower alcohols display non-linear phase behaviour upon mixing which are attributed to potential cluster formation at molecular level. Unravelling such elusive structures requires the investigation of…
Single-walled carbon nanotubes are strongly correlated systems with large Coulomb repulsion between two electrons occupying the same $p_z$ orbital. Within a molecular Hamiltonian appropriate for correlated $\pi$-electron systems, we show…
Empirical evidence in heavy fermion, pnictide, and other systems suggests that unconventional superconductivity appears associated to some form of real-space electronic order. For the cuprates, despite several proposals, the emergence of…
The conductance of a weakly interacting electron gas in the presense of a single scatterer is found at arbitrary strength of the scattering potential. At weak interaction, a simple renormalization group approach can be used instead of the…
A theory for an electron affinity of ionic clusters is proposed both in a quasiclassical approach and with quantization of a polarization electric field in a nanoparticle. An interaction of an electron with longitudinal optical phonons in…
Neutral molecules with sufficiently large dipole moments can bind electrons in diffuse nonvalence orbitals with most of their charge density far from the nuclei, forming so-called dipole-bound anions. Because long-range correlation effects…
We demonstrate simultaneous deceleration and trapping of a cold atomic and molecular mixture. This is the first step towards studies of cold atom-molecule collisions at low temperatures as well as application of sympathetic cooling. Both…
Ultracold dysprosium gases, with a magnetic moment ten times that of alkali atoms and equal only to terbium as the most magnetic atom, are expected to exhibit a multitude of fascinating collisional dynamics and quantum dipolar phases,…
The presence of ultra-narrow inter-combination spectroscopic lines in alkaline earth elements places them as promising candidates for optical atomic clocks, quantum computation, and for probing fundmental physics. Doppler cooling of these…
Using the embedded-atom method, the structure of small copper clusters on Au(111) electrodes has been investigated both by static and dynamic calculations. By varying the size of roughly circular clusters, the edge energy per atom is…
Analytical expressions for the binding energy of electrons and positrons in dielectric clusters, analysed in this work, neglect the elastic effects. Therefore, we present the density-functional theory for neutral liquid clusters that…
We extend the Su-Schrieffer-Heeger model of polyacetylene to C_{60} and C_{70} molecules, and solve numerically. The calculations of the undoped systems agree well with the known results. When the system (C_{60} or C_{70}) is doped with one…
Here, we report the observation of electron transfer mediated decay (ETMD) involving Mg clusters embedded in helium nanodroplets which is initiated by the ionization of helium followed by removal of two electrons from the Mg clusters of…
A theory of neutron scattering by magnetic materials is reviewed with emphasis on the use of electronic multipoles that have universal appeal, because they are amenable to calculation and appear in theories of many other experimental…