(1s 2 2s 2 2p 2 5d 1 ) 4 P S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4152.
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 | 5d- electron | |
| 1 | 3d | 2.526482 | 1.57810873 |
| 2 | 4d | 2.174206 | -4.34540958 |
| 3 | 5d | 1.996040 | 3.43597624 |
| 4 | 3d | 5.882322 | .04651868 |
| 5 | 5d | 9.032385 | -.00885363 |
| 6 | 4d | 32.900203 | .00020180 |
| 7 | 5d | 1.420313 | -.00647226 |
| 8 | 5d | 44.584555 | -.00009456 |
| ORB.ENERGY,a.u. | -2.045900 | ||
| NORM | 1.000001 | < R > | 3.363985 | < R2 > | 12.852970 | < 1/R > | .414954 | < 1/R**2 > | .358196 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.254973 | 1.11447566 |
| 2 | 3p | 7.108722 | -.14776692 |
| 3 | 2p | 14.864560 | .02721973 |
| 4 | 4p | 17.553862 | .01168895 |
| 5 | 5p | 24.002692 | -.00221460 |
| 6 | 5p | 1.445876 | -.00044977 |
| 7 | 3p | 40.301630 | .00014974 |
| 8 | 3p | .954605 | .00042608 |
| ORB.ENERGY,a.u. | -18.125000 | ||
| NORM | 1.000000 | < R > | .378296 | < R2 > | .173681 | < 1/R > | 3.351597 | < 1/R**2 > | 15.254294 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.624251 | .42196320 |
| 2 | 2s | 6.969566 | -.86310348 |
| 3 | 3s | 7.111931 | -.28398901 |
| 4 | 4s | 26.959819 | .00210579 |
| 5 | 3s | 14.872023 | .01704023 |
| 6 | 5s | 7.147280 | -.02187319 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433288 | < R2 > | .220015 | < 1/R > | 3.384380 | < 1/R**2 > | 46.477746 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.112489 | .92672009 |
| 2 | 1s | 23.112559 | .07200917 |
| 3 | 2s | 14.128182 | .01947714 |
| 4 | 3s | 17.753994 | -.01558736 |
| 5 | 5s | 37.694245 | .00090224 |
| 6 | 4s | 89.351626 | -.00003661 |
| 7 | 5s | 11.790163 | .00036695 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096557 | < R2 > | .012497 | < 1/R > | 15.626912 | < 1/R**2 > | 491.748600 |
Total Energy= -336.98104617 a.u.
Kinetic Energy= 336.97442533 a.u.
Potential Energy= -673.95547150 a.u.
Virial Ratio = -2.00001965