The bound state stability of the hydride ion in Hartree-Fock theory

Cox, Hazel, Baskerville, Adam L, Syrjanen, Ville J J and Melgaard, Michael (2020) The bound state stability of the hydride ion in Hartree-Fock theory. In: Advances in Quantum Chemistry. Elsevier.

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This review brings together mathematical proofs and high-accuracy quantum chemical numerical calculations on the hydride ion, the anion of hydrogen. Our discussion is confined to Hartree–Fock theory and the nonrelativistic time-independent Schrödinger equation, within the fixed-nucleus approximation. It is written so as to be accessible to both the mathematics and physical chemistry communities.

Item Type: Book Section
Keywords: Hydride ion, Hydrogen anion, Bound state stability, Mathematically proven criteria, Hartree–Fock theory
Schools and Departments: School of Life Sciences > Chemistry
SWORD Depositor: Mx Elements Account
Depositing User: Mx Elements Account
Date Deposited: 14 May 2020 09:34
Last Modified: 23 Feb 2022 09:12

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Project NameSussex Project NumberFunderFunder Ref
Fundamental studies of Electron Correlation with applications to DFTG2355EPSRC-ENGINEERING & PHYSICAL SCIENCES RESEARCH COUNCILEPSRC Ref: EP/R