University of Sussex
Browse

File(s) under permanent embargo

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

chapter
posted on 2023-06-09, 21:12 authored by Hazel CoxHazel Cox, Adam L Baskerville, Ville J J Syrjanen, Michael Melgaard
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.

Funding

Fundamental studies of Electron Correlation with applications to DFT; G2355; EPSRC-ENGINEERING & PHYSICAL SCIENCES RESEARCH COUNCIL; EPSRC Ref: EP/R

History

Publication status

  • Published

File Version

  • Accepted version

Journal

Advances in Quantum Chemistry

ISSN

0065-3276

Publisher

Elsevier

External DOI

Book title

Advances in Quantum Chemistry

Department affiliated with

  • Chemistry Publications

Full text available

  • No

Peer reviewed?

  • Yes

Legacy Posted Date

2020-05-14

First Compliant Deposit (FCD) Date

2020-05-13

Usage metrics

    University of Sussex (Publications)

    Categories

    No categories selected

    Keywords

    Hydride ionHydrogen anionBound state stabilityMathematically proven criteriaHartree–Fock theory

    Licence

    Copyright not evaluated

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC