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The Journal of Chemical Physics

A model calculation for the ground state of 4He tetramer

Imam M. Elminyawi, J. S. Levinger

Published Jan 15, 1985• 5 citations
Publisher

Abstract

We use the following approximation to the potential between two 4He atoms—V(r)=4420 exp(−r2/1.69)−1302 exp(−r2/2.44) (V in K, r in Å). We use the hyperspherical harmonics expansion, with Fabre’s optimal subset, to solve for the ground state of the 4He tetramer. The Schrödinger equation is transformed into an infinite set of second order coupled differential equations (CDE), which we truncate to M equations. We test our program for solving CDE in two appendices. We find that the energy for our model is less than −4.3 K.

DOI
10.1063/1.448519

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Model calculation for the ground state of /sup 4/He tetramer

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Calculation of the wave functions of the ground and weakly excited states of helium II

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Calculations of the binding energies of weakly bound He-He-Ba molecules

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The three-body Schrdinger equation is approximately solved in the hyperspherical coordinates and the binding energies of the three-body weakly bound systems are calculated with the purpose to find if He-He-Ba trimers could exist. Using the special feature of the B-spline function like the flexible and highly localized properties, hypersphercial potentials are obtained by modifying the knots distribution of the B-spline basis of different weakly bound three-atom systems. Employing the best empirical interaction potentials between each pair of particles, we obtain that in the ground state binding energies of the weakly bound typical three-atom systems, the bindings of the molecules, 4He-4He-138Ba, 4He-3He-138Ba and 3He-3He-138Ba are possible. The binding energies of these systems are shown in the order of 1 Kelvin, each system could support only one bound state. These weakly bound molecules can exist only in a very cold environment. To get insight into the geometry of the molecules, the features of the channel functions associated with the hyperspherical potential curves of each system are investigated.

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Linear correlations between 4 He trimer and tetramer energies calculated with various realistic 4 He potentials

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In a previous work [Phys. Rev. A 85, 022502 (2012)] we calculated, with the use of the Gaussian expansion method for few-body systems, the energy levels and spatial structures of the ${}^{4}$He trimer and tetramer ground and excited states using the LM2M2 potential, which has a very strong short-range repulsion. In this work, we calculate the same quantities using the currently most accurate ${}^{4}$He-${}^{4}$He potential [Przybytek et al., Phys. Rev. Lett. 104, 183003 (2010)] that includes the adiabatic, relativistic, QED, and residual retardation corrections. Contributions of the corrections to the tetramer ground-(excited-) state energy $\ensuremath{-}573.90\phantom{\rule{0.16em}{0ex}}(\ensuremath{-}132.70)$ mK are respectively $\ensuremath{-}4.13\phantom{\rule{0.16em}{0ex}}(\ensuremath{-}1.52)$ mK, $+9.37\phantom{\rule{0.16em}{0ex}}(+3.48)$ mK, $\ensuremath{-}1.20\phantom{\rule{0.16em}{0ex}}(\ensuremath{-}0.46)$ mK, and $+0.16\phantom{\rule{0.16em}{0ex}}(+0.07)$ mK. Further including other realistic ${}^{4}$He potentials, we calculated the binding energies of the trimer and tetramer ground and excited states, ${B}_{3}^{(0)},\phantom{\rule{0.16em}{0ex}}{B}_{3}^{(1)},\phantom{\rule{0.16em}{0ex}}{B}_{4}^{(0)}$, and ${B}_{4}^{(1)}$, respectively. We found that the four kinds of the binding energies for the different potentials exhibit perfect linear correlations between any two of them over the range of binding energies relevant for ${}^{4}$He atoms (namely, six types of the generalized Tjon lines are observed). The dimerlike-pair model for ${}^{4}$He clusters, proposed in the previous work, predicts a simple interaction-independent relation $\frac{{B}_{4}^{(1)}}{{B}_{2}}=\frac{{B}_{3}^{(0)}}{{B}_{2}}+\frac{2}{3}$, which precisely explains the correlation between the tetramer excited-state energy and the trimer ground-state energy, with ${B}_{2}$ being the dimer binding energy.

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Variational calculation of 4 He tetramer ground and excited states using a realistic pair potential

Emiko Hiyama, M. Kamimura

We calculated the ${}^{4}$He 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 ${}^{4}$He${}_{N}$ ($N\ensuremath{\ge}3$) measured from the ${}^{4}$He${}_{N\ensuremath{-}1}$ ground state to be nearly $\frac{N}{2(N\ensuremath{-}1)}{B}_{2}$ where ${B}_{2}$ is the dimer binding energy.

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Four-body systems at large cutoffs in effective field theory

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arXiv:2304.06172•Physical Review C•Feb 20, 2024•3 citations
We use the following approximation to the potential between two 4He atoms—V(r)=4420 exp(−r2/1.69)−1302 exp(−r2/2.44) (V in K, r in Å). We use the hyperspherical harmonics expansion, with Fabre’s optimal subset, to solve for the ground state of the 4He tetramer. The Schrödinger equation is transformed into an infinite set of second order coupled differential equations (CDE), which we truncate to M equations. We test our program for solving CDE in two appendices. We find that the energy for our model is less than −4.3 K.
We use the following approximation to the potential between two /sup 4/He atoms: V(r) = 4420 exp(-r/sup 2//1.69)-1302 exp(-r/sup 2//2.44) (V in K, r in A). We use the hyperspherical harmonics expansion, with Fabre's optimal subset, to solve for the ground state of the /sup 4/He tetramer. The Schroedinger equation is transformed into an infinite set of second order coupled differential equations (CDE), which we truncate to M equations. We test our program for solving CDE in two appendices. We find that the energy for our model is less than -4.3 K.
The wave functions of the ground (Ψ 0 ) and the first excited (Ψ k ) states of He II in the second-order approximation, i.e., up to the first two corrections to the corresponding solutions for a weakly nonideal Bose gas, are determined by the collective variable method, which was proposed by Bogolyubov and Zubarev and developed in the studies by Yukhnovskii and Vakarchuk. The functions Ψ 0 and Ψ k = ψ k Ψ 0 are determined as the eigenfunctions of the N -particle Schrödinger equation from a system of coupled equations for Ψ 0 , Ψ k , and the quasiparticle spectrum E ( k ) of helium II. The results consist in the following: (1) these equations are solved numerically for a higher order approximation compared with those investigated earlier (the first-order approximation), and (2) Ψ 0 and ψ k are derived from a model potential of interaction between He 4 atoms (rather than from the structure factor as earlier) in which the potential barrier is joined with the attractive potential found from experiment. The height V 0 of the potential barrier is a free parameter. Except for V 0 , the model does not have any free parameters or functions. The calculated values of the structure factor, the ground-state energy E 0 , and the quasiparticle spectrum E ( k ) of He II are in agreement with the experimental values for V 0 ≈ 100 K. The second-order correction to the logarithm of Ψ 0 significantly affects the value of E 0 and provides the asymptotics E ( k → 0) = ck , while the second-order correction to ψ k slightly affects the E ( k ). The second-order corrections to Ψ 0 and ψ k have a smaller effect on the results compared with the first-order corrections, whereby the theory is in agreement with experiment; therefore, one may assume that the truncated Ψ 0 and ψ k well describe the microstructure of He II. Thus, the series for Ψ 0 and Ψ k can be truncated in spite of the fact that the expansion parameter is not very small (∼1/2).
The three-body Schrdinger equation is approximately solved in the hyperspherical coordinates and the binding energies of the three-body weakly bound systems are calculated with the purpose to find if He-He-Ba trimers could exist. Using the special feature of the B-spline function like the flexible and highly localized properties, hypersphercial potentials are obtained by modifying the knots distribution of the B-spline basis of different weakly bound three-atom systems. Employing the best empirical interaction potentials between each pair of particles, we obtain that in the ground state binding energies of the weakly bound typical three-atom systems, the bindings of the molecules, 4He-4He-138Ba, 4He-3He-138Ba and 3He-3He-138Ba are possible. The binding energies of these systems are shown in the order of 1 Kelvin, each system could support only one bound state. These weakly bound molecules can exist only in a very cold environment. To get insight into the geometry of the molecules, the features of the channel functions associated with the hyperspherical potential curves of each system are investigated.
In a previous work [Phys. Rev. A 85, 022502 (2012)] we calculated, with the use of the Gaussian expansion method for few-body systems, the energy levels and spatial structures of the 4{}^{4}4He trimer and tetramer ground and excited states using the LM2M2 potential, which has a very strong short-range repulsion. In this work, we calculate the same quantities using the currently most accurate 4{}^{4}4He-4{}^{4}4He potential [Przybytek et al., Phys. Rev. Lett. 104, 183003 (2010)] that includes the adiabatic, relativistic, QED, and residual retardation corrections. Contributions of the corrections to the tetramer ground-(excited-) state energy $\ensuremath{-}573.90\phantom{\rule{0.16em}{0ex}}(\ensuremath{-}132.70)$ mK are respectively $\ensuremath{-}4.13\phantom{\rule{0.16em}{0ex}}(\ensuremath{-}1.52)$ mK, +9.37(+3.48)+9.37\phantom{\rule{0.16em}{0ex}}(+3.48)+9.37(+3.48) mK, $\ensuremath{-}1.20\phantom{\rule{0.16em}{0ex}}(\ensuremath{-}0.46)$ mK, and +0.16(+0.07)+0.16\phantom{\rule{0.16em}{0ex}}(+0.07)+0.16(+0.07) mK. Further including other realistic 4{}^{4}4He potentials, we calculated the binding energies of the trimer and tetramer ground and excited states, B3(0),B3(1),B4(0){B}_{3}^{(0)},\phantom{\rule{0.16em}{0ex}}{B}_{3}^{(1)},\phantom{\rule{0.16em}{0ex}}{B}_{4}^{(0)}B3(0)​,B3(1)​,B4(0)​, and B4(1){B}_{4}^{(1)}B4(1)​, respectively. We found that the four kinds of the binding energies for the different potentials exhibit perfect linear correlations between any two of them over the range of binding energies relevant for 4{}^{4}4He atoms (namely, six types of the generalized Tjon lines are observed). The dimerlike-pair model for 4{}^{4}4He clusters, proposed in the previous work, predicts a simple interaction-independent relation B4(1)B2=B3(0)B2+23\frac{{B}_{4}^{(1)}}{{B}_{2}}=\frac{{B}_{3}^{(0)}}{{B}_{2}}+\frac{2}{3}B2​B4(1)​​=B2​B3(0)​​+32​, which precisely explains the correlation between the tetramer excited-state energy and the trimer ground-state energy, with B2{B}_{2}B2​ being the dimer binding energy.
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.
Four-body systems are studied using an effective-field theory with two- and three-body contact interactions. A method to systematically address deep trimers (three-body bound states that are more tightly bound than four-body bound or resonant states) in four-body calculations is developed using a diagrammatic approach. Previous calculations were limited by the existence of deep trimers, which this work overcomes. For cold 4He^{4}\mathrm{He}4He atoms, binding energies of 526.1(5) and 128.517(1) mK are obtained at leading order for the tetramer ground and excited states, respectively, where errors come from the truncation of three-body partial waves. Tetramer binding energies and decay widths are also computed approaching the unitary limit. In the unitary limit, there are two tetramers associated with each trimer of binding energy B3(0){B}_{3}^{(0)}B3(0)​. The binding energy and decay width for the associated tetramer ground state are E4(0)=4.60(1)B3(0){E}_{4}^{(0)}=4.60(1){B}_{3}^{(0)}E4(0)​=4.60(1)B3(0)​ and ${\mathrm{\ensuremath{\Gamma}}}_{4}^{(0)}/2=0.0160(1){B}_{3}^{(0)}$, respectively, and for the associated tetramer excited state, E4(1)=1.0022(3)B3(0){E}_{4}^{(1)}=1.0022(3){B}_{3}^{(0)}E4(1)​=1.0022(3)B3(0)​ and ${\mathrm{\ensuremath{\Gamma}}}_{4}^{(1)}/2=2.57(2)\ifmmode\times\else\texttimes\fi{}{10}^{\ensuremath{-}4}{B}_{3}^{(0)}$, respectively. This calculation is a gateway to higher-order and/or more-body calculations in nuclear and atomic systems.