An accurate potential energy curve for helium based on <i>ab initio</i> calculations

Janzen, A.; Aziz, Ronald A.

doi:10.1063/1.474444

Cited by 212 publications

(131 citation statements)

References 37 publications

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“…As pointed out by Efimov and Tkachenko [5], for a , LM2M2 [7], HFD-B [8] and HFDBFCI1 [9]. Note the approximately linear relationship (dashed line).…”

mentioning

confidence: 94%

Approaching Universality in Weakly Bound Three-Body Systems

Roudnev

Cavagnero²

2012

Phys. Rev. Lett.

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Atom-dimer scattering below the three-body break-up threshold is studied for a system of three identical bosons. The atom-dimer scattering length and the energy of the most weakly-bound threebody state are shown to be strongly correlated. An appropriate rescaling of the observables reveals the subtlety of the correlation, and serves to identify universal trends in the unitary limit of divergent two-body scattering length. The correlation provides a new quantitative measure of the degree of universality in three-body systems with short-ranged interactions, as well as a consistency check of effective field theories and other theoretical models.

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“…As pointed out by Efimov and Tkachenko [5], for a , LM2M2 [7], HFD-B [8] and HFDBFCI1 [9]. Note the approximately linear relationship (dashed line).…”

mentioning

confidence: 94%

Approaching Universality in Weakly Bound Three-Body Systems

Roudnev

Cavagnero²

2012

Phys. Rev. Lett.

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“…Data in the literature [16][17][18][19][20] show that the He dimer potential well at 10.9 K and a nuclear equilibrium distance of 2.97 Å only support a single bound rovibrational state with a binding energy of approximately -1.176 mK, 34 which is the weakest bound state ever discovered. Due to this extremely weak interaction, the wave function must be delocalized over a large intermolecular distance.…”

Section: Potential Energy Functionmentioning

confidence: 99%

“…[9][10][11][12][13][14][15] The minimum energy value (D = 11.0 K) and the equilibrium distance (R e = 2.965 Å) predicted by the potential used here are in agreement with previous results in the literature. [16][17][18][19][20][21] This proposed potential energy curve is investigated, by comparing the calculated exact quantum second virial coefficient with the experimental results at low temperatures.…”

Section: Potential Energy Functionmentioning

confidence: 99%

“…364 Several He-He intermolecular potentials are discussed in the literature. [16][17][18][19][20] The most recent potential has not been tested against thermodynamic and transport property data, 21 such as the quantum second virial coefficients. In the present work, a study of this recent potential was conducted using second virial coefficient data at low temperature.The quantum virial coefficient can be determined by evaluating the quantum ideal gas term, the scattering phase shift dependence on angular momentum [22][23][24][25][26][27][28][29] and the bound states by Levinson's theorem.…”

Section: Introductionmentioning

confidence: 99%

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Quantum second virial coefficient calculation for the 4He dimer on a recent potential

Costa¹,

Lemes²,

Alves³

et al. 2013

J. Braz. Chem. Soc.

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Este trabalho concentra-se no cálculo do segundo coeficiente virial quântico, a partir de um potencial desenvolvido recentemente. Este coeficiente foi determinado com 4-5 algarismos significativos na faixa de temperatura de 3 a 100 K. Nossos resultados estão dentro do erro experimental. Três contribuições para o valor total deste coeficiente são o espalhamento quântico (contribuição de estados no contínuo), o estado ligado (contribuição de estados discretos) e o gás ideal quântico; discutimos estas contribuições separadamente. A contribuição mais importante é do espalhamento quântico, enquanto que as contribuições menores são dos estados discretos. Uma análise da sensibilidade foi realizada em função da temperatura para um parâmetro na região de curto alcance do potencial e para três parâmetros na região de longo alcance do potencial. Para ambas as temperaturas consideradas, 10 e 100 K, o coeficiente de dispersão C 6 foi o mais significativo, e o termo dispersão C 10 foi o menos significativo para o resultado total. Em geral, a precisão exigida para descrever os potenciais diminui com o aumento da temperatura. A precisão total e a relação dos parâmetros com os erros experimentais são discutidas. This paper focuses on the calculation of the quantum second virial coefficient, under a recently developed potential. This coefficient was determined to within 4-5 significant figures in the temperature range from 3 to 100 K. Our results are within experimental error. The three contributions to the overall value of the coefficient are the quantum scattering (continuum state contribution), the bound state (discrete state contribution) and the quantum ideal gas; we discuss these contributions separately. The most significant contribution is from the scattering states, whereas the smaller contributions are from the discrete states. A sensitivity analysis was performed as a function of temperature for one parameter in the short-range region of the potential and for three parameters in the long-range regions of the potential. For both temperatures considered, 10 and 100 K, the C 6 dispersion coefficient was the most significant, and the C 10 dispersion term was the least significant to the overall result. In general, the precision required to describe the potential decays as the temperature increases. The overall accuracy and the relationship of the parameters to the experimental errors are discussed.

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“…19 Relativistic effects were also incorporated in this sort of molecule. 20 Although these are very accurate potentials, they are limited to one molecule. The objective of the paper is to study the helium dimers in a comparative phase shift analysis.…”

Section: Rare Gas Dimers Potentialmentioning

confidence: 99%

Parametric sensitivity analysis for the helium dimers on a model potential

et al. 2012

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Recebido em 8/6/11; aceito em 10/11/11; publicado na web em 31/1/12Potential parameters sensitivity analysis for helium unlike molecules, HeNe, HeAr, HeKr and HeXe is the subject of this work. Number of bound states these rare gas dimers can support, for different angular momentum, will be presented and discussed. The variable phase method, together with the Levinson's theorem, is used to explore the quantum scattering process at very low collision energy using the Tang and Toennies potential. These diatomic dimers can support a bound state even for relative angular momentum equal to five, as in HeXe. Vibrational excited states, with zero angular momentum, are also possible for HeKr and HeXe. Results from sensitive analysis will give acceptable order of magnitude on potentials parameters.

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An accurate potential energy curve for helium based on ab initio calculations

Cited by 212 publications

References 37 publications

Approaching Universality in Weakly Bound Three-Body Systems

Approaching Universality in Weakly Bound Three-Body Systems

Quantum second virial coefficient calculation for the 4He dimer on a recent potential

Parametric sensitivity analysis for the helium dimers on a model potential

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