Universal nature of different methods of obtaining the exact Kohn-Sham exchange-correlation potential for a given densityAn interesting fundamental problem in density-functional theory of electronic structure of matter is to construct the exact Kohn-Sham (KS) potential for a given density. The exact potential can then…Ashish Kumar, Rabeet Singh, Manoj K. Harbola·Apr 17, 2018SaveLearn
Characterization of OCS-HCCCCH and N2O-HCCCCH dimers: Theory and experimentThe infrared spectra of the weakly-bound dimers OCS-HCCCCH, in the region of the nu1 fundamental band of OCS (2050 cm-1), and N2O-HCCCCH, in the region of the nu1 fundamental band of N2O (2200 cm-1),…A. J. Barclay, A. Pietropolli Charmet, K. H. Michaelian et al.·Apr 16, 2018SaveLearn
A Coulomb Over-the-Barrier Monte Carlo Simulation to probe Ion-Dimer Collision DynamicsWe present a combined theoretical and experimental study of primary and post-collision mechanisms involved when colliding low energy multiply charged ions with van der Waals dimers. The collision…W. Iskandar, X. Fléchard, J. Matsumoto et al.·Apr 12, 2018SaveLearn
Femtosecond photoexcitation dynamics inside a quantum solventThe observation of chemical reactions on the time scale of the motion of electrons and nuclei has been made possible by lasers with ever shortened pulse lengths. Superfluid helium represents a…Bernhard Thaler, Sascha Ranftl, Pascal Heim et al.·Apr 12, 2018SaveLearn
A screened independent atom model for the description of ion collisions from atomic and molecular clustersWe apply a recently introduced model for an independent-atom-like calculation of ion-impact electron transfer and ionization cross sections to proton collisions from water, neon, and carbon clusters.…Hans Jürgen Lüdde, Marko Horbatsch, Tom Kirchner·Apr 8, 2018SaveLearn
Infrared spectrum and intermolecular potential energy surface of the CO-O2 dimerOnly a few weakly-bound complexes containing the O2 molecule have been characterized by high resolution spectroscopy, no doubt due to the complications added by the oxygen molecule's unpaired…A. J. Barclay, A. R. W. McKellar, N. Moazzen-Ahmadi et al.·Apr 8, 2018SaveLearn
Spontaneous decay of small copper cluster anions Cun-, n=3-6 on long time scalesWe have measured the spontaneous neutral particle emission from copper cluster anions (Cun-, n=3-6) stored at cryogenic temperatures in one of the electrostatic ion storage rings of the DESIREE…K. Hansen, M. H. Stockett, M. Kaminska et al.·Apr 2, 2018SaveLearn
Dianion diagnostics in DESIREE: High-sensitivity detection of Cn2- from a sputter ion sourceA sputter ion source with a solid graphite target has been used to produce dianions with a focus on carbon cluster dianions, Cn2-, with n=7-24. Singly and doubly charged anions from…K. C. Chartkunchand, M. H. Stockett, E. K. Anderson et al.·Apr 1, 2018SaveLearn
From quantum to classical dipole plasmon resonances in highly-doped nano-crystalsDipole plasmon resonances are ubiquitous in nano-particles with delocalized charge carriers. Doped semi-conductor colloidal nano-crystals constitute a novel paradigm for plasmon excitations in a…Leonid Gerchikov, Andrey Ipatov, Claude Guet·Mar 25, 2018SaveLearn
Optimal control of light propagation and exciton transfer in arrays of molecular-like noble-metal clustersWe demonstrate theoretically the possibility of optimal control of light propagation and exciton transfer in arrays constructed of subnanometer sized noble-metal clusters by using phase-shaped laser…Polina G. Lisinetskaya, Roland Mitric·Mar 16, 2018SaveLearn
Kramers degeneracy and relaxation in vanadium, niobium and tantalum clustersIn this work we use magnetic deflection of V, Nb, and Ta atomic clusters to measure their magnetic moments. While only a few of the clusters show weak magnetism, all odd-numbered clusters deflect due…A. Diaz-Bachs, M. I. Katsnelson, A. Kirilyuk·Mar 12, 2018SaveLearn
Effective electronic-only Kohn-Sham equations for the muonic moleculesA set of effective electronic-only Kohn-Sham (EKS) equations are derived for the muonic molecules (containing a positively charged muon), which are completely equivalent to the coupled…Milad Rayka, Mohammad Goli, Shant Shahbazian·Mar 6, 2018SaveLearn
Three-Dimensional Shapes of Spinning Helium NanodropletsA significant fraction of superfluid helium nanodroplets produced in a free-jet expansion have been observed to gain high angular momentum resulting in large centrifugal deformation. We measured…Bruno Langbehn, Katharina Sander, Yevheniy Ovcharenko et al.·Feb 28, 2018SaveLearn
General theory of photoexcitation induced photoelectron circular dichroismThe photoionization of chiral molecules prepared in a coherent superposition of excited states can give access to the underlying chiral coherent dynamics in a procedure known as photoexcitation…Alex G Harvey, Zdeněk Mašín, Olga Smirnova·Feb 23, 2018SaveLearn
The logic of behavior of atomsUnderstanding of the atomic structures and ways in which the atoms interacting is critical to the understanding of chemistry. In this paper applied the concepts of game theory in explaining reactions…Madjid Eshaghi Gordji, Gholamreza Askari, Alireza Tavakoli Targhi·Feb 20, 2018SaveLearn
Emerging disciplines based on superatoms: a perspective point of viewIn this work, our statements are based on the progress of current research on superatomic clusters. Combining the new trend of materials and device manufacture at the atomic level, we analyzed the…Jianpeng Wang, Weiyu Xie, Yang Gao et al.·Feb 17, 2018SaveLearn
Knife edge skimming for improved separation of molecular species by the deflectorA knife edge for shaping a molecular beam is described to improve the spatial separation of the species in a molecular beam by the electrostatic deflector. The spatial separation of different…Sebastian Trippel, Melby Johny, Thomas Kierspel et al.·Feb 12, 2018SaveLearn
Infrared spectra of C2H4 dimer and trimerSpectra of ethylene dimers and trimers are studied in the nu11 and (for the dimer) nu9 fundamental band regions of C2H4 (~2990 and 3100 cm-1) using a tunable optical parametric oscillator source to…A. J. Barclay, K. Esteki, A. R. W. McKellar et al.·Feb 10, 2018SaveLearn
Photon absorption and electron scattering by endohedralsWe concentrate here on photon absorption as well as electron and positron scattering upon endohedrals that consist of a fullerenes shell and an inner atom A. The aim is to understand the effect of…M. Ya. Amusia, A. F. Ioffe·Feb 9, 2018SaveLearn
Photophysics of indole upon x-ray absorptionA photofragmentation study of gas-phase indole (C8H7N) upon single-photon ionization at a photon energy of 420 eV is presented. Indole was primarily inner-shell ionized at its nitrogen and…Thomas Kierspel, Cédric Bomme, Michele Di Fraia et al.·Feb 8, 2018SaveLearn
First Principles Study of Structural and Optical Properties of B12 IsomersIn this work we undertake a comprehensive numerical study of the ground state structures and optical absorption spectra of isomers of B12 cluster. Geometry optimization was performed at the…Pritam Bhattacharyya, Ihsan Boustani, Alok Shukla·Feb 4, 2018SaveLearn
From Sticky-Hard-Sphere to Lennard-Jones-Type ClustersA relation MSHS between the set of non-isomorphic sticky hard sphere clusters MSHS and the sets of local energy minima MLJ…Lukas Trombach, Robert S. Hoy, David J. Wales et al.·Jan 31, 2018SaveLearn
Transport of secondary electrons through coatings of ion-irradiated metallic nanoparticlesThe transport of low-energy electrons through the coating of a radiosensitizing metallic nanoparticle under fast ion irradiation is analyzed theoretically and numerically. As a case study, we…Kaspar Haume, Pablo de Vera, Alexey Verkhovtsev et al.·Jan 21, 2018SaveLearn
Penning ionization of acene molecules by He nanodropletsAcene molecules (anthracene, tetracene, pentacene) and fullerene (C60) are embedded in He nanodroplets (HeN) and probed by EUV synchrotron radiation. When resonantly exciting the He…Mykola Shcherbinin, Aaron C. LaForge, Muhammad Hanif et al.·Jan 11, 2018SaveLearn
Semi-classical Computation of Low-energy Collisions Cross Section in Mutual Neutralization of Helium and Hydrogen IonsA Semi-classical model is employed to theoretically study mutual neutralization in the collisions of 4He+ and H-. The model includes nine covalent states of…Sifiso M. Nkambule, Sibusiso Zwane·Jan 10, 2018SaveLearn