(1s 2 2s 2 2p 6 3s 2 3p 1 4d 1 ) 1 F Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | 1.088137 | 1.50821466 |
| 2 | 4d | 1.100023 | -2.75910519 |
| 3 | 3d | 2.099742 | .78914131 |
| 4 | 4d | 2.531232 | -.49122938 |
| 5 | 5d | 4.206996 | -.03745856 |
| 6 | 5d | 1.274526 | .49371693 |
| 7 | 3d | 7.574615 | .01179926 |
| 8 | 4d | 60.887154 | .00000172 |
| ORB.ENERGY,a.u. | -.556720 | ||
| NORM | 1.000003 | < R > | 4.488073 | < R2 > | 23.633878 | < 1/R > | .323988 | < 1/R**2 > | .204491 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.091247 | .36703935 |
| 2 | 2p | 1.866108 | -.47603004 |
| 3 | 3p | 2.483929 | -.63761178 |
| 4 | 2p | 9.865453 | .08749038 |
| 5 | 3p | 17.255462 | -.00219552 |
| 6 | 4p | 1.075716 | -.00170290 |
| 7 | 5p | 43.593011 | -.00004161 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.479908 | < R2 > | 2.523325 | < 1/R > | .904977 | < 1/R**2 > | 1.803491 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.355730 | -.36404908 |
| 2 | 1s | 12.222885 | .20683173 |
| 3 | 1s | 65.411081 | .00007802 |
| 4 | 2s | 5.618184 | -.22518096 |
| 5 | 3s | 2.735116 | 1.05827903 |
| 6 | 4s | 4.781082 | .10697810 |
| 7 | 3s | 36.921342 | -.00059268 |
| 8 | 5s | 2.542144 | .03815849 |
| 9 | 2s | 1.185524 | -.00177756 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.376314 | < R2 > | 2.155922 | < 1/R > | .990373 | < 1/R**2 > | 5.747685 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.788287 | .43105700 |
| 2 | 3p | 7.644470 | .51145490 |
| 3 | 5p | 4.394046 | .00583554 |
| 4 | 4p | 6.162932 | .15894188 |
| 5 | 2p | 24.322028 | .00157276 |
| 6 | 5p | 32.865365 | -.00015623 |
| 7 | 3p | 47.712583 | .00003103 |
| 8 | 4p | 1.893275 | .00011436 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404301 | < R2 > | .202654 | < 1/R > | 3.209900 | < 1/R**2 > | 14.342399 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.735609 | .37722715 |
| 2 | 2s | 6.942462 | -.76947070 |
| 3 | 3s | 6.360917 | -.16288819 |
| 4 | 4s | 27.580176 | .00176476 |
| 5 | 2s | 4.979588 | -.19724008 |
| 6 | 3s | 17.531754 | .00694183 |
| 7 | 4s | 3.035189 | -.00024345 |
| 8 | 5s | 48.074934 | .00004305 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .439879 | < R2 > | .229012 | < 1/R > | 3.327395 | < 1/R**2 > | 45.530927 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579314 | 1.01106536 |
| 2 | 2s | 20.620024 | -.01842587 |
| 3 | 3s | 15.113412 | .01700834 |
| 4 | 4s | 61.848557 | -.00038901 |
| 5 | 4s | 8.411020 | .00132299 |
| 6 | 5s | 79.791292 | .00010962 |
| 7 | 5s | 8.654002 | -.00052935 |
| 8 | 2s | 28.527612 | -.00343300 |
| 9 | 2s | 162.344756 | .00000239 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091272 | < R2 > | .011193 | < 1/R > | 16.562473 | < 1/R**2 > | 553.123054 |
Total Energy= -455.45517304 a.u.
Kinetic Energy= 455.41885850 a.u.
Potential Energy= -910.87403154 a.u.
Virial Ratio = -2.00007974