(1s 2 2s 2 2p 4 5p 1 ) 4 D Ar 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 5p- electron | |
| 1 | 2p | 5.109795 | .27413776 |
| 2 | 3p | 2.542762 | -2.74498542 |
| 3 | 4p | 2.335122 | 5.51997800 |
| 4 | 5p | 2.094472 | -3.60617023 |
| 5 | 2p | 10.675758 | .05004196 |
| 6 | 5p | 17.575095 | .00184022 |
| 7 | 4p | 39.769282 | -.00012022 |
| ORB.ENERGY,a.u. | -2.213900 | ||
| NORM | .999999 | < R > | 3.300040 | < R2 > | 12.245505 | < 1/R > | .437561 | < 1/R**2 > | .693837 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.511904 | 1.12828632 |
| 2 | 3p | 7.293356 | -.20421088 |
| 3 | 2p | 13.624946 | .07279574 |
| 4 | 4p | 16.219519 | .01087392 |
| 5 | 5p | 44.578954 | -.00012324 |
| 6 | 5p | 1.399139 | .00012148 |
| 7 | 4p | 5.424917 | -.00196057 |
| ORB.ENERGY,a.u. | -19.330000 | ||
| NORM | 1.000000 | < R > | .347872 | < R2 > | .147743 | < 1/R > | 3.669971 | < 1/R**2 > | 18.429499 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.150130 | .41654487 |
| 2 | 2s | 7.824514 | -.86279358 |
| 3 | 3s | 7.306939 | -.30259599 |
| 4 | 4s | 14.696439 | .00337135 |
| 5 | 3s | 17.577889 | .01390567 |
| 6 | 5s | 38.744061 | .00071436 |
| 7 | 5s | 7.255266 | -.00463143 |
| 8 | 3s | 72.917347 | -.00002654 |
| ORB.ENERGY,a.u. | -20.023000 | ||
| NORM | 1.000000 | < R > | .393124 | < R2 > | .181631 | < 1/R > | 3.731174 | < 1/R**2 > | 56.796095 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.132243 | .91986111 |
| 2 | 1s | 24.592026 | .07656083 |
| 3 | 2s | 11.215257 | .02022503 |
| 4 | 3s | 13.627907 | -.02040650 |
| 5 | 4s | 16.406022 | .00886496 |
| 6 | 5s | 44.157250 | .00067306 |
| 7 | 3s | 68.093360 | -.00005597 |
| ORB.ENERGY,a.u. | -127.520000 |
| NORM | 1.000000 | < R > | .085844 | < R2 > | .009886 | < 1/R > | 17.586934 | < 1/R**2 > | 622.978332 |
Total Energy= -475.12162457 a.u.
Kinetic Energy= 475.12739468 a.u.
Potential Energy= -950.24901925 a.u.
Virial Ratio = -1.99998786