Anomalous quantum and isotope effects in water clusters: Physical phenomenon, model artifact, or bad approximation?Free energy differences ΔF:=F-Fprism are computed for several isomers of water hexamer relative to the "prism" isomer using the self-consistent phonons method. %ΔF:=F-F(prism)…Sandra E. Brown, Vladimir A. Mandelshtam·Sep 29, 2014SaveLearn
Humblonium: Classical Atoms and the Earnshaw PlasmaIt is shown that electrostatic and diamagnetic forces can combine to give long lasting metastable bound dimers of macro and mesoscopically sized objects for a physically attainable material regime.…Clifford Chafin·Sep 28, 2014SaveLearn
Water hexamer: Self-consistent phonons versus reversible scaling versus replica exchange molecular dynamicsClassical free energies for the cage and prism isomers of water hexamer computed by the self- consistent phonons (SCP) method and reversible scaling (RS) method are presented for several flexible…Sandra E. Brown, Vladimir A. Mandelshtam·Sep 27, 2014SaveLearn
Microscopic control of 29Si nuclear spins near phosphorus donors in siliconWe demonstrate an efficient control of 29Si nuclear spin orientation for specific lattice sites near 31P donors in silicon crystals at temperatures below 1 K and in high magnetic field of…J. Järvinen, D. Zvezdov, J. Ahokas et al.·Sep 23, 2014SaveLearn
A quantum relaxation-time approximation for finite fermion systemsWe propose a relaxation time approximation for the description of the dynamics of strongly excited fermion systems. Our approach is based on time-dependent density functional theory at the level of…P. -G. Reinhard, E. Suraud·Sep 15, 2014SaveLearn
Fullerene photoemission time delay explores molecular cavity in attosecondsPhotoelectron spectroscopy earlier probed oscillations in C60 valence emissions, producing series of minima whose energy separation depends on the molecular cavity. We show here that the quantum…Maia Magrakvelidze, Dylan M. Anstine, Gopal Dixit et al.·Sep 9, 2014SaveLearn
Interatomic-Coulombic-decay-induced recapture of photoelectrons in helium dimersWe investigate the onset of photoionization shakeup induced interatomic Coulombic decay (ICD) in He2 at the He+*(n = 2) threshold by detecting two He+ ions in coincidence. We find this threshold to…P. Burzynski, F. Trinter, J. B. Williams et al.·Sep 9, 2014SaveLearn
Long-range states in excited ultracold 3He*-4He* dimersLong-range bound states of the excited heteronuclear 3He*--4He* system that dissociate to either 3He(1s2s 3S1) + 4He(1s2p 3Pj) or 3He(1s2p 3Pj) + 4He(1s2s 3S1), where j=0, 1, 2, are investigated…Daniel G. Cocks, Gillian Peach, Ian B. Whittingham·Sep 8, 2014SaveLearn
Time-Dependent Density-Functional Theory of Strong-Field Ionization of Atoms under Soft X-RaysWe demonstrate the capabilities of time-dependent density functional theory (TDDFT) for strong-field, short wavelength (soft X-ray) physics, as compared to a formalism based on rate equations. We…Alison Crawford-Uranga, Umberto De Giovannini, Esa Räsänen et al.·Aug 26, 2014SaveLearn
Laboratory spectroscopy of 1,2-propanediol at millimeter and submillimeter wavelengthsEthanediol is one of the largest complex organic molecules detected in space thus far. It has been found in different types of molecular clouds. The two propanediol isomers are the next larger diols.…J. -B. Bossa, M. H. Ordu, H. S. P. Müller et al.·Aug 22, 2014SaveLearn
Dynamics of heterogeneous clusters under intense laser fieldsWe study the dynamics of atomic and molecular nano-clusters exposed to short and intense X-fel pulsesPierfrancesco Di Cintio·Aug 17, 2014SaveLearn
Particle Dynamics in Damped Nonlinear Quadrupole Ion TrapsWe examine the motions of particles in quadrupole ion traps as a function of damping and trapping forces, including cases where nonlinear damping or nonlinearities in the electric field geometry play…Eugene A. Vinitsky, Eric D. Black, Kenneth G. Libbrecht·Aug 14, 2014SaveLearn
Optical response of C60 fullerene from a Time Dependent Thomas Fermi approachWe study the collective electron dynamics in C60 clusters within the Time Dependent Thomas Fermi method in the frame of jellium model. The results regarding the optical spectrum are in good agreement…D. I. Palade, V. Baran·Aug 8, 2014SaveLearn
Enhanced dissociation of H2+ into highly excited states via laser-induced sequential resonant excitationWe study the dissociation of H2+ in uv laser pulses by solving the non-Born-Oppenheimer time-dependent Schrödinger equation as a function of the photon energy ω of the pulse. Significant…Kunlong Liu, Qianguang Li, Pengfei Lan et al.·Jul 20, 2014SaveLearn
Electrons as probes of dynamics in molecules and clusters : a contribution from Time Dependent Density Functional TheoryVarious ways to analyze the dynamical response of clusters and molecules to electromagnetic perturbations exist. Particularly rich information can be obtained from measuring the properties of…P. Wopperer, P. M. Dinh, P. -G. Reinhard et al.·Jul 18, 2014SaveLearn
Maximal Atom-Photon Entanglement in a Double-Lambda Quantum SystemThe atom-photon entanglement of dressed atom and its spontaneous emission in a Double-Lambda closed-loop atomic system is studied in multi-photon resonance condition. It is shown that, even in the…Zeinab Kordi, Saeed Ghanbari, Mohammad Mahmoudi·Jul 15, 2014SaveLearn
Monitoring the Birth of an Electronic Wavepacket in a Neutral Molecule with Attosecond Time-Resolved Photoelectron SpectroscopyNumerical simulations are presented to validate the possible use of cutting-edge attosecond time- resolved photoelectron spectroscopy to observe in real time the creation of an electronic wavepacket…Aurelie Perveaux, David Lauvergnat, Fabien Gatti et al.·Jun 30, 2014SaveLearn
From the "Brazuca" ball to Octahedral Fullerenes: Their Construction and ClassificationA simple cut-and-patch method is presented for the construction and classification for fullerenes belonging to the octahedral point groups, O or Oh. In order to satisfy the symmetry requirement…Yuan-Jia Fan, Bih-Yaw Jin·Jun 27, 2014SaveLearn
Desorption Dynamics of Heavy Alkali Metal Atoms (Rb, Cs) off the Surface of Helium NanodropletsWe present a combined ion imaging and density functional theory study of the dynamics of the desorption process of rubidium and cesium atoms off the surface of helium nanodroplets upon excitation of…J. von Vangerow, A. Sieg, F. Stienkemeier et al.·Jun 18, 2014SaveLearn
Photoionizaton of Pure and Doped Helium NanodropletsHelium nanodroplets, commonly regarded as the "nearly ideal spectroscopic matrix", are being actively studied for more than two decades now. While they mostly serve as cold, weakly perturbing…M. Mudrich, F. Stienkemeier·Jun 18, 2014SaveLearn
General static polarizability in spherical neutral metal clusters and fullerenes within Thomas-Fermi theoryWe study the static linear response in spherical Thomas-Fermi systems deriving a simple diferen- tial equation for general multipolar moments and associated polarizabilities. We test the equation on…D. I. Palade, V. Baran·Jun 15, 2014SaveLearn
Energy levels, radiative rates, and lifetimes for transitions in W LVIIIEnergy levels and radiative rates are reported for transitions in Cl-like W LVIII. Configuration interaction (CI) has been included among 44 configurations (generating 4978 levels) over a wide energy…K M Aggarwal, F P Keenan·Jun 11, 2014SaveLearn
Structure of a low-lying isomer of BOSi2, as a free-space planar cluster, using the Hartree-Fock method plus second order perturbationsThe Hartree-Fock (HF) method, supplemented by low-order Moller-Plesset (MP2) perturbation theory, has been utilized to predict the nuclear geometry, assuming planarity, of a low-lying isomer of the…G. Forte, G. G. N. Angilella, N. H. March et al.·Jun 11, 2014SaveLearn
Determination of electron-hole correlation length in CdSe quantum dots using explicitly correlated two-particle cumulantThe electron-hole correlation length serves as an intrinsic length scale for analyzing excitonic interactions in semiconductor nanoparticles. In this work, the derivation of electron-hole correlation…Christopher J. Blanton, Arindam Chakraborty·May 31, 2014SaveLearn
Nano cluster dissociation sensitive to the elasticity of metal as a collision targetThe sensitive dependence of the cluster ion dissociation behavior on the elastic response of the target metal is experimentally demonstrated. Five types of metal are bombarded with cluster ions…Kozo Mochiji, Naoki Se, Norio Inui et al.·May 26, 2014SaveLearn