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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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Official URL: https://doi.org/10.1016/bs.aiq.2020.04.002
Abstract
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 |
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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 |
URI: | http://sro.sussex.ac.uk/id/eprint/91236 |
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📧 Request an updateFunder and Project Information
Project Name | Sussex Project Number | Funder | Funder Ref |
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Fundamental studies of Electron Correlation with applications to DFT | G2355 | EPSRC-ENGINEERING & PHYSICAL SCIENCES RESEARCH COUNCIL | EPSRC Ref: EP/R |