(1s 2 2s 2 2p 5 3d 1 ) 1 F Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1332.
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 | 3d- electron | |
| 1 | 3d | 3.174986 | 1.13993674 |
| 2 | 3d | 8.309582 | .03260077 |
| 3 | 4d | 3.945665 | -.15767369 |
| 4 | 4d | 53.505481 | .00001184 |
| 5 | 5d | 2.314599 | .00218733 |
| 6 | 3d | 22.492331 | -.00002372 |
| 7 | 4d | 1.359228 | -.00033518 |
| ORB.ENERGY,a.u. | -4.715600 | ||
| NORM | 1.000000 | < R > | 1.081058 | < R2 > | 1.351646 | < 1/R > | 1.098776 | < 1/R**2 > | 1.489275 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.310022 | 1.18703674 |
| 2 | 3p | 7.366507 | -.25536572 |
| 3 | 2p | 13.769745 | .06670577 |
| 4 | 4p | 16.789180 | .00872984 |
| 5 | 5p | 4.934368 | .00111965 |
| 6 | 5p | 42.402703 | -.00013440 |
| ORB.ENERGY,a.u. | -16.367000 | ||
| NORM | 1.000000 | < R > | .359849 | < R2 > | .159000 | < 1/R > | 3.569990 | < 1/R**2 > | 17.553906 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.295188 | .40141264 |
| 2 | 2s | 7.699480 | -.84680672 |
| 3 | 3s | 6.994043 | -.30673756 |
| 4 | 4s | 18.501799 | .00455922 |
| 5 | 3s | 19.582885 | .00698042 |
| 6 | 5s | 36.424671 | .00107799 |
| 7 | 5s | 6.507048 | -.00521779 |
| 8 | 4s | 43.657569 | .00029605 |
| ORB.ENERGY,a.u. | -18.309000 | ||
| NORM | 1.000000 | < R > | .401554 | < R2 > | .190043 | < 1/R > | 3.650566 | < 1/R**2 > | 54.559868 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.191113 | .93052992 |
| 2 | 1s | 25.174341 | .06482484 |
| 3 | 2s | 10.858012 | .02184679 |
| 4 | 3s | 13.393488 | -.02196654 |
| 5 | 4s | 16.617600 | .01065627 |
| 6 | 5s | 43.091429 | .00068920 |
| 7 | 4s | 98.549510 | -.00003139 |
| ORB.ENERGY,a.u. | -124.690000 |
| NORM | 1.000000 | < R > | .085953 | < R2 > | .009917 | < 1/R > | 17.572961 | < 1/R**2 > | 622.214574 |
Total Energy= -495.21313308 a.u.
Kinetic Energy= 495.19548141 a.u.
Potential Energy= -990.40861448 a.u.
Virial Ratio = -2.00003565