The weakly bound ground state of the LiHe2 triatomic system

Baccarelli, I.; Delgado‐Barrio, G.; Gianturco, F. A.; González‐Lezana, Tomás; Miret‐Artés, Salvador; Villarreal, Pablo

doi:10.1039/b002415p

Cited by 47 publications

(57 citation statements)

References 16 publications

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“…For the 4 He 2 interaction potential we have adopted the one proposed by Aziz and Slaman 20 as in our previous calculations. 16,17,21,22 We report in Fig. 1 the relative shapes and strength values of the 2B potentials considered here: The HeH Ϫ interaction is clearly shallower and more repulsive than the corresponding HeHe potential, as already seen by previous work.…”

Section: The Potential-energy Surface "Pes…supporting

confidence: 77%

“…The inclusion of the scale factor (R 1 R 2 R 3 ) 1/2 in order to get the standard normalization of the total wave function ⌿(R 1 ,R 2 ,R 3 ) leads to the final Hamiltonian expression which we have given in detail elsewhere for the case of zero total angular momentum. 17 As in our previous work, we have expanded the wave function in terms of a set of distributed Gaussian functions 28 ͑DGF's͒ which take into account the proper symmetry of the system. 16,17 After careful numerical tests, we have finally employed a basis of 22 Gaussian functions which depend on each atom-atom pair coordinate and are centered as follows: 3,3.7,...,12.1,13,14,...,17,20,23, and 26 Å.…”

Section: Calculation Of the Bound Statesmentioning

confidence: 99%

“…As discussed in our previous work, 16,17,21,22 one of the additional interests for the weakly bound three-body aggregates relates to the earlier studies in nuclear physics carried out by Efimov. 31 In this context, a special effect was suggested to occur whenever each dimer involved in the triatomic species has no bound states but does exhibit a zero resonance.…”

Section: Potential Scaling and Efimov Statesmentioning

confidence: 99%

“…17 As in our previous work, we have expanded the wave function in terms of a set of distributed Gaussian functions 28 ͑DGF's͒ which take into account the proper symmetry of the system. 16,17 After careful numerical tests, we have finally employed a basis of 22 Gaussian functions which depend on each atom-atom pair coordinate and are centered as follows: 3,3.7,...,12.1,13,14,...,17,20,23, and 26 Å. They are given by…”

Section: Calculation Of the Bound Statesmentioning

confidence: 99%

“…15 The problem here, in fact, is to analyze the overall spatial shape of this special triatomic ion and to establish the number and nature of the bound states of this system in order to relate the present findings with those already obtained and discussed by us for another impurity that shows similarly weak interactions with 4 He and 4 He 2 : the Li atomic species. 16,17 The present study is organized as follows: The next Sec. II briefly describes the interaction potentials which we employ in this work while Sec.…”

Section: Introductionmentioning

confidence: 99%

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The structure of a weakly bound ionic trimer: Calculations for the He24H− complex

Gianturco¹,

Paesani²,

Baccarelli³

et al. 2001

The Journal of Chemical Physics

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The weakly bound diatomic systems 4 He 2 and 4 HeH Ϫ have been found able to support only one bound state for Jϭ0, although the latter also supports an additional bound state for Jϭ1. In the present paper we, therefore, study the structure of the bound states which might exist for the weakly bound triatomic 4 He 2 H Ϫ , in its Jϭ0 state, by describing the full potential as a simple addition of two-body ͑2B͒ interactions. We carry out bound state calculations using both Jacobi coordinates within a discrete variable representation ͑DVR͒ and pair coordinates with a distributed Gaussian function ͑DGF͒ expansion. The system is shown to possess two bound states with respect to its lower dissociation threshold and two further ''ghost'' states before the complete break-up threshold. The spatial structures of such states and of the floppy complex are analyzed in detail, as is the possibility of detecting Efimov-type states in such a weakly bound aggregate. Finally, the inclusion of three-body ͑3B͒ forces in the description of the full interaction and its effect on the number of possible bound states is also discussed.

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Section: The Potential-energy Surface "Pes…supporting

confidence: 77%

Section: Calculation Of the Bound Statesmentioning

confidence: 99%

Section: Potential Scaling and Efimov Statesmentioning

confidence: 99%

Section: Calculation Of the Bound Statesmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

The structure of a weakly bound ionic trimer: Calculations for the He24H− complex

Gianturco¹,

Paesani²,

Baccarelli³

et al. 2001

The Journal of Chemical Physics

Self Cite

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Computational Modeling: Up‐to‐Date Approaches and Cutting‐Edge Applications from Clusters, Nanostructures to Bulk Systems

Prosmiti,

González‐Lezana

2024

ChemPhysChem

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Convergence and quantum number assignment studies of rovibrational eigenstates in a model of predissociating NeICl van der Waals complex

Elander

Levin

Yarevsky

2008

Int J of Quantum Chemistry

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This report details extensions and further analysis of the results presented in an earlier study (Elander et al., Phys Rev A 2001, 64, 012505). Rovibrational resonances in a model of the triatomic van der Waals complex NeICl were studied with a full quantum mechanical, smooth exterior dilation technique realized in a three-dimensional finite element code. Both exact and approximate results, where Coriolis effects are neglected, are presented, and their structures are discussed. Although the helicity is a good quantum number in a one-equation approximation, it is here demonstrated that this is not in the case when including Coriolis coupling, that is, couplings to other helicity components. The behavior of the resonance widths and the positions together with the structure of the resonance wave functions and their dependence on the total angular momentum and its projection have been studied. The dependence of the width of a given resonance on the total angular momentum was found to be weak while the dependence on the helicity is stronger.

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The weakly bound ground state of the LiHe2 triatomic system

Cited by 47 publications

References 16 publications

The structure of a weakly bound ionic trimer: Calculations for the He24H− complex

The structure of a weakly bound ionic trimer: Calculations for the He24H− complex

Computational Modeling: Up‐to‐Date Approaches and Cutting‐Edge Applications from Clusters, Nanostructures to Bulk Systems

Convergence and quantum number assignment studies of rovibrational eigenstates in a model of predissociating NeICl van der Waals complex

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