Abstract
The potential energy curve for the metastable 4IIg state of the He −2 anion is obtained from fully numerical Hartree–Fock (HF) calculations and is used to evaluate the spectroscopic constants. The resonant 4Σ +g state of He −2 and the excited a3Σ +u state of He2 are also investigated. The 〈R2〉 expectation value calculated for numerical orbitals indicates a diffuse character of the anion wave functions.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 225-230 |
| Number of pages | 6 |
| Journal | International Journal of Quantum Chemistry |
| Volume | 34 |
| Issue number | 22 S |
| DOIs | |
| State | Published - 1988 |
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ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Physical and Theoretical Chemistry
Cite this
Numerical hartree–fock characterization of metastable states of the He −2 anion. / Pluta, Tadeusz; Bartlett, Rodney J.; Adamowicz, Ludwik.
In: International Journal of Quantum Chemistry, Vol. 34, No. 22 S, 1988, p. 225-230.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Numerical hartree–fock characterization of metastable states of the He −2 anion
AU - Pluta, Tadeusz
AU - Bartlett, Rodney J.
AU - Adamowicz, Ludwik
PY - 1988
Y1 - 1988
N2 - The potential energy curve for the metastable 4IIg state of the He −2 anion is obtained from fully numerical Hartree–Fock (HF) calculations and is used to evaluate the spectroscopic constants. The resonant 4Σ +g state of He −2 and the excited a3Σ +u state of He2 are also investigated. The 〈R2〉 expectation value calculated for numerical orbitals indicates a diffuse character of the anion wave functions.
AB - The potential energy curve for the metastable 4IIg state of the He −2 anion is obtained from fully numerical Hartree–Fock (HF) calculations and is used to evaluate the spectroscopic constants. The resonant 4Σ +g state of He −2 and the excited a3Σ +u state of He2 are also investigated. The 〈R2〉 expectation value calculated for numerical orbitals indicates a diffuse character of the anion wave functions.
UR - http://www.scopus.com/inward/record.url?scp=84990727006&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84990727006&partnerID=8YFLogxK
U2 - 10.1002/qua.560340826
DO - 10.1002/qua.560340826
M3 - Article
AN - SCOPUS:84990727006
VL - 34
SP - 225
EP - 230
JO - International Journal of Quantum Chemistry
JF - International Journal of Quantum Chemistry
SN - 0020-7608
IS - 22 S
ER -