A modern variation of the Rutherford experiment to probe the tunneling of exotic nuclear matter from the measurement of the residues formed in the bombardment of (197)Au by extremely neutron-rich (8)He nuclei is presented. Using a novel off-beam technique the most precise and accurate measurements of fusion and neutron transfer involving reaccelerated unstable beams are reported. The results show unusual behavior of the tunneling of (8)He compared to that for lighter helium isotopes, highlighting the role of the intrinsic structure of composite many-body quantum systems and pairing correlations.

Vibrational predissociation spectra of rare-gas-tagged [(CeO(2))(VO(2))(1-2)](+) and [(Ce(2)O(3))(VO(2))](+) clusters are measured in the 400-1200 cm(-1) region. Density functional theory (DFT) is used to determine the geometric and electronic structure of low-energy isomers of the partially reduced clusters. Comparison of experimental and simulated spectra provides evidence for the larger stability of Ce(+3)/V(+5) compared to that of Ce(+4)/V(+4), which confirms that the exceptionally high reducibility of Ce(+4) accounts for the promoting role of ceria in supported vanadium oxide catalysts.

A molecular dynamics study of water nucleation using the TIP4P/2005 model J. Chem. Phys. 135, 244505 (2011) Size evolution study of "molecular" and "atom-in-cluster" polarizabilities of medium-size gold clusters J. Chem. Phys. 135, 034109 (2011) Ab initio calculations on the excited states of Na3 cluster to explore beyond Born-Oppenheimer theories: Adiabatic to diabatic potential energy surfaces and nuclear dynamics J. Chem. Phys. 135, 034107 (2011) The geometric structures of neutral and cationic Si n Li m 0/+ clusters with n = 2-11 and m = 1, 2 are investigated using combined experimental and computational methods. The adiabatic ionization energy and vertical ionization energy (VIE) of Si n Li m clusters are determined using quantum chemical methods (B3LYP/6-311+G(d), G3B3, and CCSD(T)/aug-cc-pVxZ with x = D,T), whereas experimental values are derived from threshold photoionization experiments in the 4.68-6.24 eV range. Among the investigated cluster sizes, only Si 6 Li 2 , Si 7 Li, Si 10 Li, and Si 11 Li have ionization thresholds below 6.24 eV and could be measured accurately. The ionization threshold and VIE obtained from the experimental photoionization efficiency curves agree well with the computed values. The growth mechanism of the lithium doped silicon clusters follows some simple rules: (1) neutral singly doped Si n Li clusters favor the Li atom addition on an edge or a face of the structure of the corresponding Si n − anion, while the cationic Si n Li + binds with one Si atom of the bare Si n cluster or adds on one of its edges, and (2) for doubly doped Si n Li 2 0/+ clusters, the neutrals have the shape of the Si n+1 counterparts with an additional Li atom added on an edge or a face of it, while the cations have both Li atoms added on edges or faces of the Si n − clusters.

We report on a combined experimental and theoretical study of the ionization energies and structures of small lithium doped silicon clusters, SinLim with n = 5-11 and m = 3-6. Photoionization efficiency curves are measured in the 4.68-6.24 eV range and subsequently compared with calculated values of both vertical and adiabatic ionization energies for the lowest energy isomers obtained using density functional theory at the B3LYP/6-311+G(d) level. The evolution of the cluster geometries and ionization energies is studied as a function of the number of silicon and lithium atoms along the SinLi3 (n = 5-11) and Si8Lim (m = 1-6) series, respectively. For most studied sizes good agreement is found between the experimental and the calculated ionization energies for the lowest-energy isomer. In the SinLi3 (n = 5-11) series, positively charged lithium atoms surround a negatively charged silicon framework and mainly act as electron donors. Upon sequential lithium addition along the Si8Lim (m = 1-6) series, the Si8 framework deforms from a rhombic (m = 0, 1) over a tetracapped tetragon (m = 1-4) to a square antiprism (m = 4-6) structure. Subsequent addition of lithium implies the addition of excess electrons to the silicon framework, which is reflected in a decrease of the ionization energy with increasing lithium content. This decrease is non-monotonous and odd-even alternations, reflecting the higher stability of clusters with an even number of electrons, are observed. In addition, post-threshold features in the experimental photoionization efficiency curves of SinLi3 (n = 8-11) may be related to the computed density of states of the corresponding lowest energy isomers.