Solution of atomic Hartree–Fock equations with the P version of the finite element method
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.457320
Reference21 articles.
1. A comparison between finite element methods and spectral methods as applied to bound state problems
2. Finite element methods in quantum mechanics
3. H+2 correlation diagram from finite element calculations
4. Accurate Hartree-Fock-Slater calculations on small diatomic molecules with the finite-element method
5. Solution of the Hartree-Fock-Slater equations for diatomic molecules by the finite-element method
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1. NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations;Journal of Computational Physics;2020-06
2. A review on non‐relativistic, fully numerical electronic structure calculations on atoms and diatomic molecules;International Journal of Quantum Chemistry;2019-05-21
3. Fully numerical Hartree‐Fock and density functional calculations. I. Atoms;International Journal of Quantum Chemistry;2019-04-11
4. Fully numerical Hartree‐Fock and density functional calculations. II. Diatomic molecules;International Journal of Quantum Chemistry;2019-04-11
5. On the (N, Z) dependence of the second-order Møller-Plesset correlation energies for closed-shell atomic systems;The Journal of Chemical Physics;2016-09-14
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