(1s 2 2s 2 2p 6 3s 2 3p 1 3d 1 ) 1 F Cl 3+
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 | 1.458626 | 1.09530961 |
| 2 | 4d | 1.716429 | -.23354764 |
| 3 | 3d | 3.303064 | .31478284 |
| 4 | 4d | 3.827550 | -.09822135 |
| 5 | 5d | 6.801851 | -.01296585 |
| 6 | 3d | 9.418190 | .00484008 |
| 7 | 5d | 29.811253 | -.00003732 |
| ORB.ENERGY,a.u. | -.971190 | ||
| NORM | 1.000000 | < R > | 2.089431 | < R2 > | 5.243569 | < 1/R > | .600409 | < 1/R**2 > | .479218 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.094444 | .36070094 |
| 2 | 2p | 1.746281 | -.49680270 |
| 3 | 3p | 2.567552 | -.61058441 |
| 4 | 2p | 9.860867 | .08771764 |
| 5 | 3p | 17.649469 | -.00216540 |
| 6 | 4p | 1.807379 | .04807105 |
| 7 | 5p | 2.348037 | -.05103756 |
| 8 | 4p | 83.100869 | .00000435 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.487742 | < R2 > | 2.552955 | < 1/R > | .901970 | < 1/R**2 > | 1.798090 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.251449 | -.35882022 |
| 2 | 1s | 12.247620 | .20047886 |
| 3 | 1s | 66.090654 | .00007453 |
| 4 | 2s | 5.776904 | -.21568528 |
| 5 | 3s | 2.705366 | 1.01121826 |
| 6 | 4s | 4.657558 | .13255232 |
| 7 | 3s | 36.950067 | -.00058663 |
| 8 | 5s | 2.504184 | .06348563 |
| 9 | 2s | 1.223146 | -.00140941 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.397165 | < R2 > | 2.227157 | < 1/R > | .975132 | < 1/R**2 > | 5.565225 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.788573 | .43108570 |
| 2 | 3p | 7.643398 | .51132345 |
| 3 | 5p | 4.368489 | .00626171 |
| 4 | 4p | 6.158192 | .15893950 |
| 5 | 2p | 24.747798 | .00148736 |
| 6 | 5p | 31.058362 | -.00015296 |
| 7 | 3p | 45.335818 | .00004465 |
| 8 | 3p | 1.853719 | .00072028 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404576 | < R2 > | .203035 | < 1/R > | 3.208780 | < 1/R**2 > | 14.335252 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.733903 | .37722312 |
| 2 | 2s | 6.944730 | -.76950380 |
| 3 | 3s | 6.360655 | -.16286724 |
| 4 | 4s | 27.452946 | .00174917 |
| 5 | 2s | 4.969654 | -.19735908 |
| 6 | 3s | 17.541701 | .00697595 |
| 7 | 4s | 3.068352 | -.00044557 |
| 8 | 5s | 47.192560 | .00005508 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .440001 | < R2 > | .229171 | < 1/R > | 3.326676 | < 1/R**2 > | 45.513946 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579409 | 1.01106399 |
| 2 | 2s | 20.616705 | -.01842456 |
| 3 | 3s | 15.116317 | .01700506 |
| 4 | 4s | 61.862819 | -.00038954 |
| 5 | 4s | 8.409138 | .00132438 |
| 6 | 5s | 79.878107 | .00010964 |
| 7 | 5s | 8.649524 | -.00052913 |
| 8 | 2s | 28.530801 | -.00343342 |
| 9 | 2s | 162.359743 | .00000237 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091271 | < R2 > | .011193 | < 1/R > | 16.562596 | < 1/R**2 > | 553.129722 |
Total Energy= -455.99503567 a.u.
Kinetic Energy= 455.83420619 a.u.
Potential Energy= -911.82924186 a.u.
Virial Ratio = -2.00035282