Abstract
Hartree-Fock wave functions have been obtained for the 3p-row atoms, i.e., for neutral Al, Si, P, S, Cl, and Ar, and for Cl-. Solutions were determined in analytic form using a version of Nesbet's symmetry and equivalence restrictions to simplify the calculations for atoms with both closed and unclosed shells of the same l value. These restrictions, the reason for their use, and their relation to other open-shell methods are discussed and the calculated one-electron wave functions and their eigenvalues are presented.
| Original language | English |
|---|---|
| Pages (from-to) | 521-526 |
| Number of pages | 6 |
| Journal | Physical Review |
| Volume | 123 |
| Issue number | 2 |
| DOIs | |
| Publication status | Published - 1961 |
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ASJC Scopus subject areas
- Physics and Astronomy(all)
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Analytic Hartree-Fock wave functions for the 3p-shell atoms. / Watson, R. E.; Freeman, Arthur J.
In: Physical Review, Vol. 123, No. 2, 1961, p. 521-526.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Analytic Hartree-Fock wave functions for the 3p-shell atoms
AU - Watson, R. E.
AU - Freeman, Arthur J
PY - 1961
Y1 - 1961
N2 - Hartree-Fock wave functions have been obtained for the 3p-row atoms, i.e., for neutral Al, Si, P, S, Cl, and Ar, and for Cl-. Solutions were determined in analytic form using a version of Nesbet's symmetry and equivalence restrictions to simplify the calculations for atoms with both closed and unclosed shells of the same l value. These restrictions, the reason for their use, and their relation to other open-shell methods are discussed and the calculated one-electron wave functions and their eigenvalues are presented.
AB - Hartree-Fock wave functions have been obtained for the 3p-row atoms, i.e., for neutral Al, Si, P, S, Cl, and Ar, and for Cl-. Solutions were determined in analytic form using a version of Nesbet's symmetry and equivalence restrictions to simplify the calculations for atoms with both closed and unclosed shells of the same l value. These restrictions, the reason for their use, and their relation to other open-shell methods are discussed and the calculated one-electron wave functions and their eigenvalues are presented.
UR - http://www.scopus.com/inward/record.url?scp=0001256451&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0001256451&partnerID=8YFLogxK
U2 - 10.1103/PhysRev.123.521
DO - 10.1103/PhysRev.123.521
M3 - Article
AN - SCOPUS:0001256451
VL - 123
SP - 521
EP - 526
JO - Physical Review
JF - Physical Review
SN - 0031-899X
IS - 2
ER -