کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1858966 1530557 2016 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
A Hartree–Fock study of the confined helium atom: Local and global basis set approaches
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک و نجوم (عمومی)
پیش نمایش صفحه اول مقاله
A Hartree–Fock study of the confined helium atom: Local and global basis set approaches
چکیده انگلیسی


• Two different basis set methods for atomic Hartree–Fock theory.
• Galerkin finite element method and modified Slater-type orbitals.
• Confined atom model (helium) under small-to-extreme confinement radii.
• Detailed analysis of the electron wave-function and the cusp condition.

Two different basis set methods are used to calculate atomic energy within Hartree–Fock theory. The first is a local basis set approach using high-order real-space finite elements and the second is a global basis set approach using modified Slater-type orbitals. These two approaches are applied to the confined helium atom and are compared by calculating one- and two-electron contributions to the total energy. As a measure of the quality of the electron density, the cusp condition is analyzed.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physics Letters A - Volume 380, Issues 5–6, 15 February 2016, Pages 712–717
نویسندگان
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