Asymptotic Estimation for Eigenvalues in the Exponential Potential and for Zeros of Kᵢᵥ() with Respect to Order

The paper presents the derivation of the asymptotic behavior of -zeros of the modified Bessel function of imaginary order Kᵢᵥ(). This derivation is based on the quasiclassical treatment of the exponential potential on the positive half-axis. The asymptotic expression for the -zeros (zeros with respe...

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Опубліковано в: :Symmetry, Integrability and Geometry: Methods and Applications
Дата:2021
Автори: Krynytskyi, Yuri, Rovenchak, Andrij
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Мова:Англійська
Опубліковано: Інститут математики НАН України 2021
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Цитувати:Asymptotic Estimation for Eigenvalues in the Exponential Potential and for Zeros of Kᵢᵥ() with Respect to Order. Yuri Krynytskyi and Andrij Rovenchak. SIGMA 17 (2021), 057, 7 pages

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Digital Library of Periodicals of National Academy of Sciences of Ukraine
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author Krynytskyi, Yuri
Rovenchak, Andrij
author_facet Krynytskyi, Yuri
Rovenchak, Andrij
citation_txt Asymptotic Estimation for Eigenvalues in the Exponential Potential and for Zeros of Kᵢᵥ() with Respect to Order. Yuri Krynytskyi and Andrij Rovenchak. SIGMA 17 (2021), 057, 7 pages
collection DSpace DC
container_title Symmetry, Integrability and Geometry: Methods and Applications
description The paper presents the derivation of the asymptotic behavior of -zeros of the modified Bessel function of imaginary order Kᵢᵥ(). This derivation is based on the quasiclassical treatment of the exponential potential on the positive half-axis. The asymptotic expression for the -zeros (zeros with respect to order) contains the Lambert function, which is readily available in most computer algebra systems and numerical software packages. The use of this function provides much higher accuracy of the estimation compared to known relations containing the logarithm, which is just the leading term of () at large . Our result ensures accuracy sufficient for practical applications.
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fulltext Symmetry, Integrability and Geometry: Methods and Applications SIGMA 17 (2021), 057, 7 pages Asymptotic Estimation for Eigenvalues in the Exponential Potential and for Zeros of Kiν(z) with Respect to Order Yuri KRYNYTSKYI and Andrij ROVENCHAK Department for Theoretical Physics, Ivan Franko National University of Lviv, Ukraine E-mail: yurikryn@gmail.com, andrij.rovenchak@gmail.com URL: https://physics.lnu.edu.ua/en/employee/krynytskyi-yu, https://physics.lnu.edu.ua/en/employee/rovenchak-a Received May 15, 2021, in final form June 01, 2021; Published online June 10, 2021 https://doi.org/10.3842/SIGMA.2021.057 Abstract. The paper presents the derivation of the asymptotic behavior of ν-zeros of the modified Bessel function of imaginary order Kiν(z). This derivation is based on the quasi- classical treatment of the exponential potential on the positive half axis. The asymptotic expression for the ν-zeros (zeros with respect to order) contains the Lambert W function, which is readily available in most computer algebra systems and numerical software pack- ages. The use of this function provides much higher accuracy of the estimation comparing to known relations containing the logarithm, which is just the leading term of W (x) at large x. Our result ensures accuracies sufficient for practical applications. Key words: quasiclassical approximation; exponential potential; ν-zeros; modified Bessel functions of the second kind; imaginary order; Lambert W function 2020 Mathematics Subject Classification: 33C10; 81Q05; 81Q20 1 Introduction The present work originates from an attempt to analyze the accuracy of numerical computa- tions of the energy eigenvalues in steep potentials, one of which is the exponential potential. Additionally to purely mathematical interest linking this problem to finding the modified Bessel function zeros, such potentials appear in several physical problems, including quantum wells in semiconductors [15, 24, 26] and various cosmological models [16, 18]. Even though the mathematical formulation of the problem is quite straightforward and can be relatively simply reduced to well-known modified Bessel functions, advancing to practical applications appears unexpectedly problematic. To be specific, the eigenvalues in the exponential potential are expressed via zeros of the modified Bessel function of the second kind (known also as the Macdonald function) Kiν(z) of imaginary order. The computation of the Kiν(z) zeros with respect to order, known as ν-zeros, is not readily implemented in modern software even though algorithms for this were proposed decades ago [8, 10]. Moreover, available asymptotic expansions for large zeros reported in the literature [4, 9, 20] provide rather inaccurate estimations not applicable for direct calculations. Our aim is to fill in this gap. The paper is organized as follows. In Section 2, the quasiclassical approximation to the quantization in the exponential potential is considered. The equivalence of this problem with the problem of finding zeros of the Bessel Kiν(z) function is used in Section 3 to obtain the asymptotic estimation for these zeros. Numerical comparison of the obtained asymptotics and previously suggested expression for zeros is made in Section 4. Brief discussion in Section 5 concludes the paper. mailto:yurikryn@gmail.com mailto:andrij.rovenchak@gmail.com https://physics.lnu.edu.ua/en/employee/krynytskyi-yu https://physics.lnu.edu.ua/en/employee/rovenchak-a https://doi.org/10.3842/SIGMA.2021.057 2 Yu. Krynytskyi and A. Rovenchak 2 Quasiclassical approximation Consider a potential given by U(x) = { U0e 2x/a for x > 0, +∞ for x ≤ 0. The Hamiltonian for x > 0 thus reads: H = p2 2m + U0e 2x/a. The Bohr–Sommerfeld quantization condition is given by x2∫ x1 √ 2m[E − U(x)] dx = π~ ( n+ 3 4 ) , (1) where x1 and x2 are the classical turning points and the 3/4 correction originates from 1/2 as a contribution due to the hard wall at x1 = 0 and another 1/4 contribution from the turning point x2 [7, 12, 21, 25]. The quantization condition thus reads √ 2m a 2 ln E U0∫ 0 √ E − U0e2x/a dx = √ 2ma (√ E artanh √ 1− U0 E − √ E − U0 ) = π~ ( n+ 3 4 ) , (2) where artanh z denotes the principal value of the inverse hyperbolic tangent. To approach an analytical solution of this equation we will expand the functions of E into series taking into account that values of E are large. Simple transformations yield√ E U0 ln 2 e + √ E U0 ln √ E U0 +O (√ U0 E ) = π~ ( n+ 3 4 ) √ 2mU0a2 . (3) Solutions for the transcendental equation bX +X lnX = P are given by X = P W (ebP ) , where W (z) is the Lambert function being the solution to W eW = z. Finally, for the spectrum we obtain En = ~2 2m [ π a ( n+ 3 4 )]2 1 W 2 ( 2 e π~ ( n+ 3 4 ) √ 2mU0a2 ) . (4) Note that here, as in the quantization condition (1), n enumerates the wavefunction nodes, i.e., starts from n = 0 at the ground state. Asymptotic Estimation for Eigenvalues in the Exponential Potential 3 0 1 2 3 4 5 6 50 100 150 200 250 300 350 400 450 500 f(x) W(x ) ln x 2 terms 3 terms x Figure 1. Comparison of the Lambert W function and its approximation by one, two, and three terms in the large x series (5). For large arguments, the Lambert W function can be expanded as a series in the following form [11] W (z) = ln z − ln ln z + ln ln z ln z + · · · . (5) The leading order of the spectrum for large n is thus En ∝ n2 ln2 n . (6) Series (5), however, converges very slowly and even the first two terms do not provide acceptable approximation to be used in practical calculations. For illustration, see Figure 1. While the approximation with three terms seems satisfactory from the figure, this is an artifact of the vertical scale being too coarse. The accuracy of such an approximation is still far from good, as we will see in Section 4. Presently, the Lambert W is well implemented in computer algebra systems, such as Maple, Mathematica, Maxima, etc., and numerical software packages, including Perl, Python, R, GNUPlot, etc. It can be calculated using a fast converging iterative procedure with Newton’s method [17]. 3 Zeros of Kiν(z) Expressions for eigenvalues of the Schrödinger equation with exponential potentials of the e−x type have been long known to involve Bessel function zeros [3, 6, 19, 23]. A generalization of the respective approaches for the positive sign in the exponential is straightforward and can be considered a textbook problem, cf. [2, 22]. Below we will briefly recall the derivation chain for consistency. The stationary Schrödinger equation for our problem reads( − ~2 2m d2 dx2 + U0e 2x/a ) ψn(x) = Enψn(x) and the boundary conditions are ψn(0) = ψn(∞) = 0. 4 Yu. Krynytskyi and A. Rovenchak Introducing the dimensionless variable ξ = 2x/a and using further ~2/ ( 2ma2 ) as the unit of energy we obtain the following equation( −4 d2 dξ2 + ueξ ) ψn(ξ) = εnψn(ξ), where u = U0 2ma2 ~2 , εn = En 2ma2 ~2 . Changing the variable y = √ u eξ/2 we ultimately arrive at y2 d2ψn(y) dy2 + y dψn(y) dy − (y2 − εn)ψn(y) = 0. The solutions of the above equation are given by the modified Bessel functions with the imaginary index iν = i √ εn, namely ψn(y) = AnIiν(y) +BnKiν(y). To satisfy the boundary condition ψn(x = ∞) = ψn(y = ∞) = 0 we have to get rid of the function Iiν(y) that tends to infinity as y →∞. The wave functions are thus ψn(y) = BnKiν(y). Another boundary condition, ψn(x = 0) = ψn(y = √ u) = 0 yields Kiν( √ u) = 0. The eigenvalues εn are thus defined by the imaginary zeros iνn of Kiν( √ u): Ki √ εn( √ u) = 0. Simple expressions for νn are not known. Implicit expressions for them involve, in partic- ular, Airy function zeros [5, 13, 14] while the asymptotic behavior of νn as n → ∞ is known only in rather rough estimations [4, 9, 20] being weakly convergent due to the lnn and ln lnn dependences. From our asymptotic estimation (4) for eigenvalues, shifting n → n − 1 to start counting zeros from unity, we have the following asymptotic behavior of the zeros of Kiν(z): νasymp n = π ( n− 1 4 ) W ( 2π ( n− 1 4 ) e z )[1 +O ( lnn n2 )] , n = 1, 2, 3, . . . . (7) As we will see in the next section, this expression gives values quite close to the real ones even for small n. For instance, already the first zero of Kiν(1) is approximated with the relative error less than 1%. For Kiν(2), the first zero has the relative error of 3% dropping below 1% already at the third zero. The accuracy of the approach is demonstrated in Figure 2. The remainder term can be estimated from (3). Asymptotic Estimation for Eigenvalues in the Exponential Potential 5 10 −10 10 −9 10 −8 10 −7 10 −6 10 −5 10 −4 10 −3 10 −2 10 −1 1 10 100 1000 z = 0.5 z = 1 z = 2 z = 5 z = 10 n Figure 2. Relative error |νasymp n /νn − 1| of the asymptotic expression (7) for zeros νn of Kiν(z). 4 Comparison of asymptotic expressions for Kiν(z) zeros Zeros of Kν coincide with those of the Hankel function H (1) ν in view of the relation [1, 14] Kν(z) = iπ 2 eiπν/2H(1) ν ( zeiπ/2 ) . So, one can use equally results for Kν and H (1) ν available in the literature. Some closed-form asymptotic results can be obtained from both classical [9, 20] and new [4] works. They are as follows paper [20]: νMK n = π ( n+ 1 4) ln ( π ( n+ 1 4 ) e z )[1 +O ( ln lnn lnn )] ; (8a) paper [9]: νCn = πn ln ( 3πn e z )[1 +O ( ln lnn lnn )] ; (8b) paper [4]: νBK n ∼ πn lnn . (8c) In Figure 3 we compare the above asymptotics with our result expressed via the Lambert W function (7) and its expansion (5) with one, two, and three terms. As we can see, keeping the logarithmic term only cannot provide sufficient accuracy even for as large ν-zero orders as n ' 103–104. The situation slightly improves with three terms in expansion (5). The asymptotic containing exact W (x) values yields the best result. Curiously, the function V (x) solving( artanh √ 1− 1 V − √ 1− 1 V ) V = x, (9) that is, the exact quantization condition (2), gives for the ν-zeros of Kiν(z) νn = zV ( π ( n− 1 4 ) z ) (10) that provides only a slightly better extimation comparing to equation (7), as can be seen from Figure 3. The use of a similar function was suggested in [2]. 6 Yu. Krynytskyi and A. Rovenchak 10 −10 10 −8 10 −6 10 −4 10 −2 10 0 10 100 1000 10000 ν n via W log term 2 terms 3 terms ν n via V ν MK n ν C n ν BK n n Figure 3. Relative errors |νasymp n /νn−1| of several asymptotic expressions (7) (including expansion (5)), (8), and (9)–(10) for zeros νn of Kiν(1). 5 Discussion One can show that for the xk potential on the positive half-axis the leading order of the eigenval- ues is En ∝ n2k/(2+k) [25]. Obviously, in the limit of k → ∞ the energy levels are proportional to n2 corresponding to a particle in a box (the infinite square well). Considering the first correction to this dependence and the asymptotic relation (6) we have En ∝  n2 n−4/k for U(x) ∝ xk, n2 ln2 n for U(x) ∝ e2x/a. This agrees with the fact that the exponential potential at large x is steeper than any power-law dependence xk hence the deviation from the square box n2 for the exponential potential should be weaker that any power nα→−0 implying a logarithmic law. The obtained asymptotic expressions for energy levels and directly related ν-zeros of the modified Bessel functions contain the Lambert W function. Nowadays, the calculation of this function is quite an easy task for most software so the appearance of W (x) should not repel one from using these asymptotics. As we have shown, the substitution of the Lambert function with its leading logarithmic term cannot provide satisfactory numerical accuracy even for rather high energy levels En or zeros νn for n ∼ 103–104. We should remark that preserving the 3/4 correction in the quantization condition (yielding the −1/4 shift in the expression for ν-zeros) is essential for the accuracy of our approach not only for low values of n but in the whole domain n > 0. This correction allows keeping the relative error of the asymptotics as low as O ( lnn n2 ) . To summarize, we propose an asymptotic estimation for the eigenvalues in the exponen- tial potential and for the ν-zeros of the modified Bessel function of the second kind with and imaginary order, which are of sufficient accuracy to be used in practical calculations. This estimations are expressed in particular via the Lambert W function being presently well imple- mented in modern software. Further attempts to improve the approach based on the numerical solution of the equation for the quasiclassical quantization condition only lead to an insignificant increase in the accuracy. 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institution Digital Library of Periodicals of National Academy of Sciences of Ukraine
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last_indexed 2026-03-19T06:50:25Z
publishDate 2021
publisher Інститут математики НАН України
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spelling Krynytskyi, Yuri
Rovenchak, Andrij
2025-12-30T15:57:13Z
2021
Asymptotic Estimation for Eigenvalues in the Exponential Potential and for Zeros of Kᵢᵥ() with Respect to Order. Yuri Krynytskyi and Andrij Rovenchak. SIGMA 17 (2021), 057, 7 pages
1815-0659
2020 Mathematics Subject Classification: 33C10; 81Q05; 81Q20
arXiv:2103.01732
https://nasplib.isofts.kiev.ua/handle/123456789/211366
https://doi.org/10.3842/SIGMA.2021.057
The paper presents the derivation of the asymptotic behavior of -zeros of the modified Bessel function of imaginary order Kᵢᵥ(). This derivation is based on the quasiclassical treatment of the exponential potential on the positive half-axis. The asymptotic expression for the -zeros (zeros with respect to order) contains the Lambert function, which is readily available in most computer algebra systems and numerical software packages. The use of this function provides much higher accuracy of the estimation compared to known relations containing the logarithm, which is just the leading term of () at large . Our result ensures accuracy sufficient for practical applications.
en
Інститут математики НАН України
Symmetry, Integrability and Geometry: Methods and Applications
Asymptotic Estimation for Eigenvalues in the Exponential Potential and for Zeros of Kᵢᵥ() with Respect to Order
Article
published earlier
spellingShingle Asymptotic Estimation for Eigenvalues in the Exponential Potential and for Zeros of Kᵢᵥ() with Respect to Order
Krynytskyi, Yuri
Rovenchak, Andrij
title Asymptotic Estimation for Eigenvalues in the Exponential Potential and for Zeros of Kᵢᵥ() with Respect to Order
title_full Asymptotic Estimation for Eigenvalues in the Exponential Potential and for Zeros of Kᵢᵥ() with Respect to Order
title_fullStr Asymptotic Estimation for Eigenvalues in the Exponential Potential and for Zeros of Kᵢᵥ() with Respect to Order
title_full_unstemmed Asymptotic Estimation for Eigenvalues in the Exponential Potential and for Zeros of Kᵢᵥ() with Respect to Order
title_short Asymptotic Estimation for Eigenvalues in the Exponential Potential and for Zeros of Kᵢᵥ() with Respect to Order
title_sort asymptotic estimation for eigenvalues in the exponential potential and for zeros of kᵢᵥ() with respect to order
url https://nasplib.isofts.kiev.ua/handle/123456789/211366
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