Towards B-Spline Atomic Structure Calculations
نویسندگان
چکیده
The paper reviews the history of B-spline methods for atomic structure calculations bound states. It highlights various aspects variational method, particularly with regard to orthogonality requirements, iterative self-consistent eigenvalue problem, and related sphf, dbsr-hf, spmchf programs. B-splines facilitate mapping solutions from one grid another. following describes a two-stage approach where goal first stage is determine parameters such as range approximate values orbitals, after which level accuracy raised. Once convergence has been achieved Virial Theorem, evaluated check accuracy. For exact solutions, V/T ratio non-relativistic calculation ?2.
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ژورنال
عنوان ژورنال: Atoms
سال: 2021
ISSN: ['2218-2004']
DOI: https://doi.org/10.3390/atoms9030050