(1s 2 2s 2 2p 3 4d 1 ) 3 D Cl 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 4d- electron | |
| 1 | 3d | 2.767504 | 1.48103614 |
| 2 | 4d | 2.515587 | -2.01015265 |
| 3 | 3d | 8.445331 | .02369894 |
| 4 | 4d | 5.804743 | .02722098 |
| 5 | 5d | 29.156296 | -.00007432 |
| ORB.ENERGY,a.u. | -3.187100 | ||
| NORM | 1.000000 | < R > | 2.046653 | < R2 > | 4.803404 | < 1/R > | .650370 | < 1/R**2 > | .698969 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.783521 | 1.26446989 |
| 2 | 3p | 8.903142 | -.34000943 |
| 3 | 4p | 11.748492 | .08765809 |
| 4 | 5p | 14.921753 | -.01604043 |
| 5 | 4p | 4.017220 | .00581668 |
| 6 | 4p | 27.431181 | -.00067372 |
| 7 | 5p | 3.927648 | -.00394271 |
| 8 | 3p | 2.463587 | .00121441 |
| ORB.ENERGY,a.u. | -18.782000 | ||
| NORM | 1.000000 | < R > | .361485 | < R2 > | .158991 | < 1/R > | 3.517579 | < 1/R**2 > | 16.855688 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.365951 | .41976837 |
| 2 | 2s | 7.395358 | -.86815706 |
| 3 | 3s | 7.116567 | -.29133437 |
| 4 | 4s | 28.726595 | .00191029 |
| 5 | 3s | 15.711166 | .01565286 |
| 6 | 5s | 7.179967 | -.00960329 |
| ORB.ENERGY,a.u. | -18.579000 | ||
| NORM | 1.000000 | < R > | .412546 | < R2 > | .199773 | < 1/R > | 3.554925 | < 1/R**2 > | 51.432260 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.181006 | .94115471 |
| 2 | 1s | 25.222296 | .05649132 |
| 3 | 2s | 14.518986 | .01863235 |
| 4 | 3s | 20.370034 | -.01477489 |
| 5 | 4s | 30.976015 | .00269770 |
| 6 | 5s | 59.312163 | .00009388 |
| 7 | 5s | 12.052474 | .00047372 |
| ORB.ENERGY,a.u. | -114.870000 |
| NORM | 1.000000 | < R > | .090890 | < R2 > | .011078 | < 1/R > | 16.606495 | < 1/R**2 > | 555.403539 |
Total Energy= -403.90403311 a.u.
Kinetic Energy= 403.85540830 a.u.
Potential Energy= -807.75944141 a.u.
Virial Ratio = -2.00012040