A finite-temperature Hartree–Fock code for shell-model Hamiltonians

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract The codes HFgradZ.py and HFgradT.py find axially symmetric minima of a Hartree–Fock energy functional for a Hamiltonian supplied in a shell model basis. The functional to be minimized is the Hartree–Fock energy for zero-temperature properties or the Hartree–Fock grand potential for finite-temperature properties (thermal energy, entropy). The minimization may be subjected to additional constraints besides axial symmetry and nucleon numbers. A single-particle operator can be used to constrain t... Title of program: HFgradZ.py, HFgradT.py Catalogue Id: AFAX_v1_0 Nature of problem Find Hartree-Fock minima of shell-model Hamiltonians Versions of this program held in the CPC repository in Mendeley Data AFAX_v1_0; HFgradZ.py, HFgradT.py; 10.1016/j.cpc.2016.06.023

本程序源自贝尔法斯特女王大学馆藏的CPC程序库（馆藏时段：1969-2018年）
摘要
HFgradZ.py与HFgradT.py两段代码，可针对壳模型基矢下给定的哈密顿量，求解具备轴对称性的哈特里-福克（Hartree–Fock）能量泛函极小值。待优化的泛函分为两类：对应零温物性的哈特里-福克能量，以及对应有限温物性（热能、熵）的哈特里-福克巨势。除轴对称性与核子数约束外，该优化流程还可施加额外约束条件。可采用单粒子算符施加约束[原文后续内容未完整呈现]。
程序名称：HFgradZ.py、HFgradT.py
目录编号：AFAX_v1_0
问题本质：求解壳模型哈密顿量的哈特里-福克极小值
Mendeley数据中CPC库馆藏的本程序版本：AFAX_v1_0; HFgradZ.py, HFgradT.py; 10.1016/j.cpc.2016.06.023