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

Cox, Hazel; Baskerville, Adam L; Syrjanen, Ville J J; Melgaard, Michael

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

https://doi.org/10.1016/bs.aiq.2020.04.002

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

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Keywords

Hydride ion Hydrogen anion Bound state stability Mathematically proven criteria Hartree–Fock theory

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Copyright not evaluated

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

Funding

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

History

Publication status

File Version

Journal

ISSN

Publisher

External DOI

Book title

Department affiliated with

Full text available

Peer reviewed?

Legacy Posted Date

First Compliant Deposit (FCD) Date

Usage metrics

Categories

Keywords

Licence

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