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Croatica Chemica Acta

Energy states of helium 4 dimer

Srećko Kilić, Tullio Persi

Published Jan 1, 1999• 0 citations
OpenAlex

Abstract

It is shown that the binding energy of helium-4 dimer for the same class of potentials depends on the set of potential parameters used.The existence of one excited vibrational state of the dimer, which is related to one node of the radial wave function, is also proved for all used potentials.Excited state energy is about (-0,3 mK) × k B .The expectation value of the internuclear distance is about 49 Å in the ground state and 679 Å in the excited state.

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It is shown that the binding energy of helium-4 dimer for the same class of potentials depends on the set of potential parameters used.The existence of one excited vibrational state of the dimer, which is related to one node of the radial wave function, is also proved for all used potentials.Excited state energy is about (-0,3 mK) × k B .The expectation value of the internuclear distance is about 49 Å in the ground state and 679 Å in the excited state.
Abstract The helium dimer 4He2 has recently been detected, confirming earlier ab initio predictions of stability for a single bound state with binding energy of 1.310 mK. The predicted potential minimum is at 2.96 Å, with a radial distribution function peaking at 6.96 Å. We model this system using a Dirac bubble potential, which also admits just one bound j = 0 state. With the bubble located at 6.96 Å, an overlap of 0.9994 with the ab initio wave function is obtained. An average internuclear distance of 52.6 Å is calculated, in good agreement with the ab initio result. The root mean square deviation from the mean, 48.0 Å, indicates an enormous spread of the radial wave function. Also consistent with our model is the absence of bound states for the isotopic variants 3He4He and 3He2. Cross sections for helium‐helium scattering are also computed, using both a partial‐wave expansion and the Born approximation. General trends in the energy dependence of the total cross section are accounted for, in qualitative agreement with experimental results. © 1995 John Wiley & Sons, Inc.
In variational calculation, we have obtained the binding energy of helium 3 dimer in two dimensions.The existence of one bound state, with the binding energy -0.014 mK, has been definitively found.Also, the existence of a binding state of helium 3 trimer having spin -1/2 with the energy below -0.0057 mK is indicated.This reopens the question of the existence of the gas phase of many helium 3 atoms on the surface of superfluid helium 4. Key words: helium dimer, helium trimer, binding energy of helium 3 dimer. # Dedicated to Academician Krunoslav Ljolje on the occasion of his 70th birthday.
The relative transmissions of helium dimer and helium atom beams through a set of nanoscale sieves were measured as a function of hole size in the range from 98–410 nm. From the relative transmission coefficients, the mean internuclear distance of helium dimer was determined to be 〈r〉=62±10 Å. This enormous bond length—by far the largest known—confirms recent theoretical estimates of the potential energy well depth ε and the extremely small binding energy Eb of helium dimer. The ranges of these parameters corresponding to the experimental uncertainty in 〈r〉 are ε/k=10.88–10.98 K and Eb/k=0.65–1.30 mK, where k is the Boltzmann constant.
Abstract Small helium clusters Hen (n = 2, 3, ... , 10) in molecular beams produced by supersonic expansion of gaseous helium have been observed in several different experiments. Among these clusters the dimer, which has a single very slightly bound state, and the trimer, which could have many bound states, have especially unusual properties which QMC calculations can explain in detail. In this paper, diffusion QMC calculations were used to determine ground state properties for clusters (n = 2, ... , 10) using two accurate, but slightly different pairwise-additive potential energy expressions, a perturbation-based potential by Tang et al.a and an empirical potential (HFD-B) proposed by Aziz et al.b Trial functions for importance sampling were based on those determined earlier by Rick et alc. Expectation values and probability distributions were determined by the descendent-weighting technique to give results independent of the trial functions. As expected, a single bound state of the dimer was found, and its average internuclear distance was predicted to be 51.5 A. Energies for clusters with n = 2, 7 with the HFD-B potential were in good agreement with those of earlier calculations. Comparisons of the results for the two different potential energy expressions showed energies differing by a few percent. Tests of possible nonadditive interactions showed these to be far less important in their effects on predicted energies.
We calculated the 4{}^{4}4He trimer and tetramer ground and excited states with the LM2M2 potential using our Gaussian expansion method for ab initio variational calculations of few-body systems. The method has been extensively used for a variety of three-, four-, and five-body systems in nuclear physics and exotic atomic and molecular physics. The trimer (tetramer) wave function is expanded in terms of symmetric three- (four-) body Gaussian basis functions, ranging from very compact to very diffuse, without assumption of any pair correlation function. The calculated results for the trimer ground and excited states are in excellent agreement with values reported in the literature. The binding energies of the tetramer ground and excited states are obtained as 558.98 and 127.33 mK (0.93 mK below the trimer ground state), respectively. We found that precisely the same shape of the short-range correlation (${r}_{ij}\ensuremath{\lesssim}4$ \AA{}) in the dimer appears in the ground and excited states of the trimer and tetramer. The overlap function between the trimer excited state and the dimer ground state and that between the tetramer excited state and the trimer ground state are almost proportional to the dimer wave function in the asymptotic region (up to $\ensuremath{\sim}$1000 \AA{}). Also, the pair correlation functions of trimer and tetramer excited states are almost proportional to the squared dimer wave function. We then propose a model which predicts the binding energy of the first excited state of 4{}^{4}4HeN{}_{N}N​ ($N\ensuremath{\ge}3$) measured from the 4{}^{4}4He${}_{N\ensuremath{-}1}$ ground state to be nearly $\frac{N}{2(N\ensuremath{-}1)}{B}_{2}$ where B2{B}_{2}B2​ is the dimer binding energy.
The ground state of the helium 4 dimer is considered using the Monte Carlo technique. In a cylinder with a hard core wall, binding depends on its radius. For a small radius binding occurs as in the one-dimensional case. With an increase of the radius, the binding becomes stronger, reaches its maximum value, and then slowly diminishes. In conical geometry, that may be realized as a generalization of a cylindrical one, this dependence of the binding energy on the radius might lead to an effective force which tends to move the molecule toward the region of minimal energy. Thus, in channels, with nonhomogeneous cross-sections, the particles move easier in dimer form. In addition, the square of the momentum and of the particle separation along the cylinder axis and in the plane perpendicular to it are calculated as well.