New values of sublimation energy <i>L</i>0 for natural neon and its isotopes

McConville, G. T.

doi:10.1063/1.1680868

Cited by 48 publications

(13 citation statements)

References 8 publications

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“…with a numerical value of k = 187.23 using ref.s [25,24], in agreement with [21] (k: Boltzmann constant). Alternatively, the size of clusters can be estimated from the bulk-to-surface ratio of a suitable photoline [26].…”

Section: Methodsmentioning

confidence: 49%

The efficiency of Interatomic Coulombic Decay in Ne clusters

et al. 2006

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In this article, we demonstrate that Interatomic Coulombic Decay (ICD) is the dominant relaxation channel of Ne 2s inner valence vacancies in free Ne clusters, with an efficiency close to 100 %. ICD designates a novel autoionization process of a vacancy in a weakly bonded atomic or molecular cluster. Its main characteristic is the release of an electron from a site different than the original vacancy, which is mediated by ultrafast energy transfer. Results are shown for cluster sizes between approx. 50-600 atoms. A trend towards apparently increased efficiency for larger clusters may result from inelastic scattering processes inside the cluster.

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Section: Methodsmentioning

confidence: 49%

The efficiency of Interatomic Coulombic Decay in Ne clusters

et al. 2006

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“…All values are in [meV]. Experimental cohesive energies are from references [35][36][37]. to the fact that we chose a simple Lennard-Jones two-body potential, the neglect of phonon dispersion and higher order terms in our many-body decomposition.…”

Section: Resultsmentioning

confidence: 99%

Toward an accurate description of solid-state properties of superheavy elements

Schwerdtfeger

2016

EPJ Web Conf.

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Abstract. In the last two decades cold and hot fusion experiments lead to the production of new elements for the Periodic Table up to nuclear charge 118. Recent developments in relativistic quantum theory have made it possible to obtain accurate electronic properties for the trans-actinide elements with the aim to predict their potential chemical and physical behaviour. Here we report on first results of solid-state calculations for Og (element 118) to support future atom-at-a-time gas-phase adsorption experiments on surfaces such as gold or quartz.

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“…Equations (12) and (13) show that the DFM principle does not produce solutions of the SchriSdinger equation but approximations which are such that the lowest moments of ~0"[/-7 -ih(O/Ot)]q~ vanish. Setting R = P/m (14) and omitting the terms which are zero by symmetry (e.g.…”

Section: \D*!mentioning

confidence: 97%

“…We shall also constrain the GV~'Ps to be spherically symmetrical, i.e. A = AI and the tensor ~jg in (12) is reduced to the scalar gg = e 2.…”

Section: \D*!mentioning

confidence: 99%

“…The total energy is the expectation value of the N-particle hamiltonian (cf. (3)-(5)); the temperature is determined by the kinetic energy of the WP centres and the pressure is calculated from were interpolated from data taken from Dymond and Smith [10], Gibbons [11], and McConville [12]. One thus obtains the enthalpy and energy of the liquid at c v and @~aT values were taken from Naugle [13].…”

Section: Thermodynamicmentioning

confidence: 99%

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Semiclassical many-particle dynamics with gaussian wave packets

Singer

Smith

1986

Molecular Physics

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A semiclassical molecular dynamics method based on the approximate variational solution of the time-dependent Schr6dinger equation with gaussian wave packets [1-3] has been applied to the simulation of liquid, solid and gaseous neon. The technique is computationally stable: the wave packets do not spread and the conservation of energy is excellent. With a suitable choice of the pair potential fairly satisfactory agreement with the experimental energy and pressure is obtained. The radial distribution functions exaggerate the quantum-mechanical broadening effect. Diffusion constants are in fair agreement with experiment and lower than those of the classical LennardJones liquid.

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New values of sublimation energy L0 for natural neon and its isotopes

Abstract: A new ab initio intermolecular potential energy surface and predicted rotational spectra of the Ne−H2S complex

Cited by 48 publications

References 8 publications

The efficiency of Interatomic Coulombic Decay in Ne clusters

The efficiency of Interatomic Coulombic Decay in Ne clusters

Toward an accurate description of solid-state properties of superheavy elements

Semiclassical many-particle dynamics with gaussian wave packets

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