We present a program to compute polarizabilities of nominal one-electron systems using the Lagrange-mesh method (LMM) (Baye, 2015), that was used by Filippin et al., (2018). A semiempirical-core-potential approach is implemented, ultimately solving a Dirac-like equation by diagonalizing the corresponding Hamiltonian matrix. In order to build the core potential, the core orbitals are obtained from independent calculations using the GRASP2018 package (Fischer et al., 2019). Therefore we provide an easy-to-use interface between the GRASP2018 package and the LMM complete finite basis, allowing to switch easily from one one-electron basis to the other. Program summary: Program Title: POLALMM CPC Library link to program files: http://dx.doi.org/10.17632/6mw5gdwfkt.1 Licensing provisions: MIT license Programming language: Fortran90 Nature of problem: Determination of the dipole and quadrupole polarizabilities. Solution method: We combine a semiempirical-core-potential approach with the numerical Lagrange-mesh method to solve a Dirac-like one-electron equation [2]. The building of the core potential requires the prior knowledge of core orbitals provided by GRASP [3]. Two free parameters are optimized by fitting the computed single-electron valence energies to their experimental reference value. References: [1] The Lagrange-mesh method, D. Baye, Phys. Rep. 565 (2015) 1-107 [2] Relativistic semiempirical-core-potential calculations in Ca+, Ba+ and Sr+ ions on Lagrange meshes, L. Filippin, S. Schiffmann, J. Dohet-Eraly, D. Baye and M. Godefroid, Phys. Rev. A 97 (2018) 012506 [3] GRASP2018 - A Fortran 95 version of the General Relativistic Atomic Structure Package, C. Froese Fischer, G. Gaigalas, P. Jonsson and J. Bieron, Comput. Phys. Commun. 237 (2019) 184-187 (Less)

中文翻译：

---

POLALMM：使用拉格朗日网格法计算标称单电子系统极化率的程序

我们提出了一个使用拉格朗日网格方法 (LMM)（Baye，2015）计算标称单电子系统极化率的程序，Filippin 等人（2018）使用了该方法。实施了半经验核势方法，最终通过对角化相应的哈密顿矩阵来求解类狄拉克方程。为了建立核心潜力，核心轨道是使用 GRASP2018 包（Fischer 等人，2019 年）通过独立计算获得的。因此，我们在 GRASP2018 包和 LMM 完全有限基之间提供了一个易于使用的接口，允许从一个单电子基轻松切换到另一个。程序摘要： 程序名称：POLALMM CPC 库程序文件链接：http://dx.doi.org/10.17632/6mw5gdwfkt.1 许可条款：MIT 许可证 编程语言：Fortran90 问题性质：确定偶极子和四极子极化率。求解方法：我们将半经验核势方法与数值拉格朗日网格方法相结合来求解类似狄拉克的单电子方程 [2]。核心势的构建需要GRASP[3]提供的核心轨道的先验知识。通过将计算出的单电子价能与其实验参考值进行拟合来优化两个自由参数。参考文献： [1] 拉格朗日网格法，D. Baye，Phys。Rep. 565 (2015) 1-107 [2] 拉格朗日网格上 Ca+、Ba+ 和 Sr+ 离子的相对论半经验核电势计算，L. Filippin、S. Schiffmann、J. Dohet-Eraly、D. Baye 和 M.戈德弗里德，物理。Rev. A 97 (2018) 012506 [3] GRASP2018 - 一般相对论原子结构包的 Fortran 95 版本，C. Froese Fischer，G. Gaigalas，P. Jonsson 和 J. Bieron，计算。物理。社区。237 (2019) 184-187 (少)