Searcharxiv⌕ Search

arXiv subjects

P. M. Dinh

Publications and source records attributed to P. M. Dinh.

36 records · Page 2Linked to original sources

Dipole excitations of Ar substrate in contact with Na clusters

e analyze the excitation of Ar substrate in contact with Na clusters using a previously developed hierarchical model for the description of the system constituted of a highly reactive metal cluster in contact with a rather inert substrate. Particular attention is paid to the dipole excitation of the Ar atoms and the energy stored therein. The Na clusters are considered at different charge states, anions, cations, and neutral clusters for the case of deposition and a highly ionized cluster embedded in a matrix. It is found that the dipole polarization of the Ar atoms stores the largest fraction of energy in the case of charged clusters. Some, although smaller, polarization is also observed for polar clusters, as Na$_6$. The effect is predominantly induced by the electrostatic interaction.

cond-mat.other↗

On the exact treatment of Time Dependent Self-Interaction Correction

We present a new formulation of the time-dependent self-interaction correction (TDSIC). It is derived variationally obeying explicitly the constraints on orthonormality of the occupied single-particle orbitals. The thus emerging rather involved symmetry condition amongst the orbitals is dealt with using two separate sets of (occupied) single-particle wavefunctions, related by a unitary transformation. The double-set TDSIC scheme is well suited for numerical implementation. We present results for laser-excited dynamics in a 1D model for a molecule and in fully fledged 3D calculations.

quant-ph↗

Deposition dynamics of Na monomers and dimers on an Ar(001) substrate

We study deposition dynamics of Na and Na$_2$ on an Ar substrate, both species neutral as well as charged. The system is modeled by a hierarchical approach describing the Na valence electrons by time-dependent density-functional theory while Na core, Ar atoms and their dynamical polarizability are treated by molecular dynamics. We explore effects of Na charge and initial kinetic energy of the impinging Na system. We find that neutral Na is captured into a loosely bound adsorbate state for sufficiently low impact energy. The charged monomers are more efficiently captured and the cation Na$^+$ even penetrates the surface layer. For charged dimers, we come to different final configurations depending on the process, direct deposit of Na$_2^+$ as a whole, or sequential deposit. In any case, charge dramatically amplifies the excitation of the matrix, in particular at the side of the Ar dipoles. The presence of a charge also enhances the binding to the surface and favours accumulation of larger compounds.

cond-mat.mtrl-sci↗

Improved Slater approximation to SIC-OEP

We propose a simplification of the Optimized Effective Potential (OEP) applied to the Self Interaction Correction (SIC) scheme of Density Functional Theory (DFT). The new scheme fulfills several key formal properties and turns out to be both simple and accurate. We show examples of applications on model molecules in terms of observables known to be especially sensitive to details of the SIC-OEP approach.

cond-mat.other↗

Self-interaction correction in a simple model

We discuss various ways to handle self-interaction corrections (SIC) to Density Functional Theory (DFT) calculations. To that end, we use a simple model of few particles in a finite number of states together with a simple zero-range interaction for which full Hartree-Fock can easily be computed as a benchmark. The model allows to shed some light on the balance between orthonormality of the involved states and energy variance.

cond-mat.other↗

Time-dependent density-functional theory with self-interaction correction

We discuss an extension of time-dependent density-functional theory by a self-interaction correction (SIC). A strictly variational formulation is given taking care of the necessary constraints. A manageable and transparent propagation scheme using two sets of wavefunctions is proposed and applied to laser excitation with subsequent ionization of a dimer molecule.

cond-mat.other↗

Shape dynamics during deposit of simple metal clusters on rare gas matrices

Using a combined quantum mechanical/classical method, we study the collisions of small Na clusters on large Ar clusters as a model for cluster deposit. We work out basic mechanisms by systematic variation of collision energy, system sizes, and orientations. The soft Ar material is found to serve as an extremely efficient shock absorber. The collisional energy is quickly transfered at first impact and the Na clusters are always captured by the Ar surface. The distribution of the collision energy into the Ar system proceeds very fast with velocity of sound. The relaxation of shapes goes at a slower pace using times of several ps. It produces a substantial rearrangement of the Ar system while the Na cluster remains rather robust.

cond-mat.other↗

Embedded metal cluster in strong laser fields

We discuss microscopic mechanisms of the violent dynamics following strong laser excitation of a metal cluster embedded in a rare gas matrix, taking as test case Na$_8$@Ar$_434$. This covers at least two aspects : first, it represents the typical experimental situation of metal clusters handled in raregas matrices or a finite drop of surrounding raregas material, and second, it serves as a generic test case for highly excited chromophores in inert surroundings addressing questions of energy transport and perturbation of the medium. We simulate the process up to 10 ps using a mixed quantum mechanical (for the electrons) and classical (ions and atoms) approach and analyze the emerging dynamics with respect to all basic constituents : cluster electrons, cluster ions, and matrix atoms. We find several stages of relaxation taking place with time scales from a few fs to over a few ps and much slower processes remaining for long after the simulation. A particularly interesting aspect is that the surrounding raregas material stabilizes a highly charged metal cluster which would otherwise explode without delay.

cond-mat.other↗

Hindered Coulomb explosion of embedded Na clusters -- stopping, shape dynamics and energy transport

We investigate the dynamical evolution of a Na$_8$ cluster embedded in Ar matrices of various sizes from N=30 to 1048. The system is excited by an intense short laser pulse leading to high ionization stages. We analyze the subsequent highly non-linear motion of cluster and Ar environment in terms of trajectories, shapes, and energy flow. The most prominent effects are: temporary stabilization of high charge states for several ps, sudden stopping of the Coulomb explosion of the embedded Na$_8$ clusters associated with an extremely fast energy transfer to the Ar matrix, fast distribution of energy throughout the Ar layers by a sound wave. Other ionic-atomic transfer and relaxation processes proceed at slower scale of few ps. The electron cloud is almost thermally decoupled from ions and thermalizes far beyond the ps scale.

cond-mat.other↗

Dynamics of cluster deposition on Ar surface

Using a combined quantum mechanical/classical method, we study the dynamics of deposition of small Na clusters on Ar(001) surface. We work out basic mechanisms by systematic variation of substrate activity, impact energy, cluster orientations, cluster sizes, and charges. The soft Ar material is found to serve as an extremely efficient shock absorber which provides cluster capture in a broad range of impact energies. Reflection is only observed in combination with destruction of the substrate. The kinetic energy of the impinging cluster is rapidly transfered at first impact. The distribution of the collision energy over the substrate proceeds very fast with velocity of sound. The full thermalization of ionic and atomic energies goes at a much slower pace with times of several ps. Charged clusters are found to have a much stronger interface interaction and thus get in significantly closer contact with the surface.

cond-mat.other↗

Structural properties and optical response of Na clusters in Ne, Ar, and Kr matrices

We discuss the structural properties and optical response of a small Na cluster inside rare gas (RG) matrices of Ne, Ar, or Kr atoms. The mixed systems are described with a hierarchical model, treating the cluster at a quantum mechanical level and the matrix atoms classically in terms of their positions and polarizations. We pay special attention to the differences caused by the different matrix types. These differences can be explained by the interplay of core repulsion and dipole attraction in the interaction between the cluster electrons and the RG atoms.

cond-mat.other↗

Size and charge effects on the deposition of Na on Ar

We discuss the dynamical deposition of the Na atom, the Na$^+$ in and the Na$_6$ cluster on finite Ar clusters mocking up an infinite Ar surface. We analyze this scenario as a function of projectile initial kinetic energy and of the size the target cluster.

cond-mat.other↗

Dynamics of metal clusters in rare gas clusters

We investigate the dynamics of Na clusters embedded in Ar matrices. We use a hierarchical approach, accounting microscopically for the cluster's degrees of freedom and more coarsely for the matrix. The dynamical polarizability of the Ar atoms and the strong Pauli-repulsion exerted by the Ar-electrons are taken into account. We discuss the impact of the matrix on the cluster gross properties and on its optical response. We then consider a realistic case of irradiation by a moderately intense laser and discuss the impact of the matrix on the hindrance of the explosion, as well as a possible pump probe scenario for analyzing dynamical responses.

cond-mat.other↗

Time resolved fission in metal clusters

We explore from a theoretical point of view pump and probe (P&P) analysis for fission of metal clusters where probe pulses are generalized to allow for scanning various frequencies. We show that it is possible to measure the time the system needs to develop to scission. This is achieved by a proper choice of both delay and frequency of the probe pulse. A more detailed analysis even allows to access the various intermediate stages of the fission process.

cond-mat.other↗

Directed and Elliptic Flow in Pb+Pb collisions at 40 and 158 AGeV

Directed and elliptic flow are reported for charged pions and protons as a function of transverse momentum, rapidity, and centrality in 40 and 158 AGeV Pb + Pb collisions. The standard method of correlating particles with an event plane is used. The directed flow of protons is small and shows little variation near to midrapidity, but rises fast towards projectile rapidity in the 40 AGeV data. For most peripheral collisions the flat region becomes negative resulting in $v_1$ changing sign three times. Elliptic flow doesn't seem to change very much from 40 AGeV to 158 AGeV. The difference is smaller than anticipated from the overall energy dependence from AGS to RHIC.

nucl-ex↗

Analysis of directed flow from three-particle correlations

We present a new method for analysing directed flow, based on a three-particle azimuthal correlation. It is less biased by nonflow correlations than two-particle methods, and requires less statistics than four-particle methods. It is illustrated on NA49 data.

nucl-th↗

Effects of momentum conservation on the analysis of anisotropic flow

We present a general method for taking into account correlations due to momentum conservation in the analysis of anisotropic flow, either by using the two-particle correlation method or the standard flow vector method. In the latter, the correlation between the particle and the flow vector is either corrected through a redefinition (shift) of the flow vector, or subtracted explicitly from the observed flow coefficient. In addition, momentum conservation contributes to the reaction plane resolution. Momentum conservation mostly affects the first harmonic in azimuthal distributions, i.e., directed flow. It also modifies higher harmonics, for instance elliptic flow, when they are measured with respect to a first harmonic event plane such as one determined with the standard transverse momentum method. Our method is illustrated by application to NA49 data on pion directed flow.

nucl-th↗

Analysis of directed flow from elliptic flow

The directed flow of particles produced in ultrarelativistic heavy ion collisions at SPS and RHIC is so small that currently available methods of analysis are at the border of applicability. Standard two-particle and flow-vector methods are biased by large nonflow correlations. On the other hand, cumulants of four-particle correlations, which are free from this bias, are plagued by large statistical errors. Here, we present a new method based on three-particle correlations, which uses the property that elliptic flow is large at these energies. This method may also be useful at intermediate energies, near the balance energy where directed flow vanishes.

nucl-th↗