A fast parallel code for calculating energies and oscillator strengths of many-electron atoms at neutron star magnetic field strengths in adiabatic approximation

Abstract
We have developed a new method for the fast computation of wavelengths and oscillator strengths for medium-Z atoms and ions, up to iron, at neutron star magnetic field strengths. The method is a parallelized Hartree-Fock approach in adiabatic approximation based on finite-element and B-spline techniques. It turns out that typically 15-20 finite elements are sufficient to calculate energies to within a relative accuracy of 10^(-5)in 4 or 5 iteration steps using B-splines of 6th order, with ...

Title of program: HFFEM
Catalogue Id: AECC_v1_0

Nature of problem
Calculations of synthetic spectra [1] of strongly magnetized neutron stars are bedevilled by the lack of data for atoms in intense magnetic fields. While the behaviour of hydrogen and helium has been investigated in detail (see, e.g., [2]), complete and reliable data for heavier elements, in particular iron, are still missing. Since neutron stars are formed by the collapse of the iron cores of massive stars, it may be assumed that their atmospheres contain an iron plasma. Our objective is to fil ...

Versions of this program held in the CPC repository in Mendeley Data
AECC_v1_0; HFFEM; 10.1016/j.cpc.2008.09.008
AECC_v2_0; HFFERII; 10.1016/j.cpc.2012.02.011
AECC_v2_1; HFFERII; 10.1016/j.cpc.2014.02.007

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

摘要
我们研发了一种新方法，可在中子星（neutron star）磁场强度条件下，快速计算直至铁元素的中等原子序数原子与离子（medium-Z atoms and ions）的波长与振子强度（oscillator strengths）。该方法是一种基于有限元（finite-element）与B样条（B-spline）技术的、绝热近似（adiabatic approximation）下的并行化哈特里-福克（Hartree-Fock）方法。研究表明，采用6阶B样条时，仅需15~20个有限元、4至5次迭代步骤，即可将能量计算的相对精度控制在10^(-5)以内，后续……

程序名称：HFFEM
目录编号：AECC_v1_0

问题属性
强磁化中子星的合成光谱[1]计算因缺乏强磁场环境下的原子数据而受阻。尽管氢和氦的行为已得到详尽研究（例如参考文献[2]），但重元素（尤其是铁）的完整可靠数据仍付阙如。鉴于中子星由大质量恒星的铁核坍缩形成，可推定其大气中存在铁等离子体。本研究的目标为填补……

该程序存放在Mendeley数据的CPC库中的版本如下：
AECC_v1_0; HFFEM; 10.1016/j.cpc.2008.09.008
AECC_v2_0; HFFERII; 10.1016/j.cpc.2012.02.011
AECC_v2_1; HFFERII; 10.1016/j.cpc.2014.02.007

本程序源自贝尔法斯特女王大学（Queen's University Belfast）托管的CPC程序库（1969-2019年）。