High-order Finite Element Method for Atomic Structure Calculations

Ondrej Certfik,John E. Pask,Isuru Fernando,Rohit Goswami,N. Sukumar,Lee. A. Collins,Gianmarco Manzini, Jirf Vackar

COMPUTER PHYSICS COMMUNICATIONS（2024）

引用 4|浏览19

关键词

Atomic structure,Electronic structure,Schrodinger equation,Dirac equation,Kohn-Sham equations,Density functional theory,Finite element method,Fortran 2008

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