(1s 2 2s 2 2p 6 3s 2 3p 4 5d 1 ) 2 P Cl 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2152.
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 | .317052 | .84519084 |
| 2 | 4d | .200670 | -5.76545326 |
| 3 | 5d | .198186 | 4.87261913 |
| 4 | 4d | .274926 | .92984981 |
| 5 | 5d | .639841 | -.05294699 |
| 6 | 3d | 1.383460 | .01411841 |
| 7 | 5d | 1.343748 | -.00917899 |
| 8 | 4d | 3.613404 | .00527985 |
| 9 | 3d | 5.774117 | .00146711 |
| ORB.ENERGY,a.u. | -.179370 | ||
| NORM | 1.000047 | < R > | 34.432053 | < R2 > | 1348.633500 | < 1/R > | .041033 | < 1/R**2 > | .003756 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.580951 | .83263636 |
| 2 | 2p | 1.877818 | -1.07375935 |
| 3 | 3p | 4.237511 | -.38099012 |
| 4 | 2p | 9.697137 | .08044708 |
| 5 | 3p | 16.193238 | -.00240392 |
| 6 | 4p | 1.733653 | -.14215651 |
| 7 | 5p | 2.160782 | -.03567935 |
| 8 | 5p | 46.927140 | -.00004171 |
| 9 | 3p | 1.293424 | -.02471642 |
| ORB.ENERGY,a.u. | -.592220 | ||
| NORM | 1.000000 | < R > | 1.708107 | < R2 > | 3.425279 | < 1/R > | .783049 | < 1/R**2 > | 1.356695 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.185863 | .79329028 |
| 2 | 1s | 9.575459 | .16727123 |
| 3 | 2s | 5.069355 | -.64417212 |
| 4 | 3s | 2.567833 | .46057048 |
| 5 | 4s | 4.999845 | .04050201 |
| 6 | 2s | 9.828513 | -.15341113 |
| 7 | 2s | 16.835937 | -.00694307 |
| 8 | 5s | 1.661196 | -.04693448 |
| 9 | 4s | 29.041541 | .00053534 |
| ORB.ENERGY,a.u. | -1.213500 | ||
| NORM | 1.000000 | < R > | 1.506538 | < R2 > | 2.618010 | < 1/R > | .901727 | < 1/R**2 > | 4.718299 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.398062 | .46608530 |
| 2 | 3p | 7.267663 | .51305749 |
| 3 | 4p | 5.781411 | .11689583 |
| 4 | 5p | 3.738844 | .00318999 |
| 5 | 2p | 19.419026 | .00433976 |
| 6 | 5p | 37.749892 | -.00021220 |
| 7 | 3p | 1.476666 | .00044461 |
| 8 | 4p | 103.758595 | .00000331 |
| 9 | 3p | 29.378948 | -.00015103 |
| ORB.ENERGY,a.u. | -7.865700 | ||
| NORM | 1.000000 | < R > | .405527 | < R2 > | .204080 | < 1/R > | 3.202500 | < 1/R**2 > | 14.284941 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.761995 | .37486756 |
| 2 | 2s | 6.932940 | -.76838835 |
| 3 | 3s | 6.440093 | -.16180078 |
| 4 | 4s | 28.145148 | .00175034 |
| 5 | 2s | 4.830165 | -.19791575 |
| 6 | 3s | 17.543176 | .00664632 |
| 7 | 4s | 2.923500 | -.00136426 |
| 8 | 5s | 1.295820 | -.00001861 |
| ORB.ENERGY,a.u. | -10.336000 | ||
| NORM | 1.000000 | < R > | .441499 | < R2 > | .230934 | < 1/R > | 3.315901 | < 1/R**2 > | 45.245135 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577188 | 1.01112598 |
| 2 | 2s | 20.730788 | -.01850437 |
| 3 | 3s | 15.044032 | .01709820 |
| 4 | 4s | 62.501238 | -.00037539 |
| 5 | 4s | 8.164312 | .00126638 |
| 6 | 5s | 80.838539 | .00010689 |
| 7 | 5s | 8.243530 | -.00055033 |
| 8 | 2s | 28.331350 | -.00339261 |
| 9 | 2s | 165.940889 | .00000212 |
| 10 | 3s | 2.247269 | -.00002173 |
| ORB.ENERGY,a.u. | -104.100000 |
| NORM | 1.000000 | < R > | .091293 | < R2 > | .011199 | < 1/R > | 16.559977 | < 1/R**2 > | 552.993961 |
Total Energy= -459.06954131 a.u.
Kinetic Energy= 459.06855553 a.u.
Potential Energy= -918.13809683 a.u.
Virial Ratio = -2.00000215