(1s 2 2s 2 2p 6 3s 2 3p 1 5s 1 ) 3 P S 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 5s- electron | |
| 1 | 1s | 10.138160 | .04535409 |
| 2 | 2s | 5.148137 | -.12580810 |
| 3 | 3s | 2.495813 | .31337643 |
| 4 | 4s | 1.177880 | -2.05079638 |
| 5 | 5s | .808647 | 1.07547840 |
| 6 | 5s | 61.510562 | -.00001441 |
| 7 | 3s | .799317 | 1.37428393 |
| 8 | 4s | 14.260752 | -.00327824 |
| 9 | 2s | 11.970897 | -.01482176 |
| 10 | 2s | .272478 | -.16186175 |
| 11 | 4s | .352625 | .08309923 |
| ORB.ENERGY,a.u. | -.317690 | ||
| NORM | 1.000000 | < R > | 7.169652 | < R2 > | 57.378009 | < 1/R > | .187827 | < 1/R**2 > | .314007 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.436482 | .35011297 |
| 2 | 2p | 1.627750 | -.62122331 |
| 3 | 3p | 2.195157 | -.49973903 |
| 4 | 2p | 8.747292 | .10313130 |
| 5 | 3p | 12.909733 | -.00519083 |
| 6 | 4p | .829900 | .01434182 |
| 7 | 4p | 30.089795 | -.00027048 |
| 8 | 5p | .914701 | -.00975351 |
| 9 | 3p | 47.103997 | -.00001633 |
| ORB.ENERGY,a.u. | -1.255200 | ||
| NORM | 1.000000 | < R > | 1.681554 | < R2 > | 3.257467 | < 1/R > | .791377 | < 1/R**2 > | 1.382001 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.427076 | 2.17815262 |
| 2 | 1s | 16.652396 | .02847545 |
| 3 | 2s | 5.682827 | -1.18440394 |
| 4 | 3s | 1.120835 | -.51370230 |
| 5 | 4s | 4.669614 | -.45980857 |
| 6 | 5s | 7.508589 | -.13351455 |
| 7 | 4s | 1.252798 | .34936473 |
| 8 | 3s | 55.662723 | -.00013657 |
| 9 | 4s | 88.483574 | .00004326 |
| ORB.ENERGY,a.u. | -1.708600 | ||
| NORM | 1.000001 | < R > | 1.541912 | < R2 > | 2.711359 | < 1/R > | .877598 | < 1/R**2 > | 4.463043 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 19.515703 | .00326603 |
| 2 | 2p | 8.914670 | .44642174 |
| 3 | 3p | 6.902460 | .50710916 |
| 4 | 5p | 3.918741 | .00489667 |
| 5 | 4p | 5.530273 | .14863975 |
| 6 | 5p | 30.054476 | -.00020839 |
| 7 | 4p | 34.169353 | -.00017401 |
| 8 | 3p | 1.439151 | .00011306 |
| ORB.ENERGY,a.u. | -7.544900 | ||
| NORM | 1.000000 | < R > | .440060 | < R2 > | .240808 | < 1/R > | 2.959258 | < 1/R**2 > | 12.236700 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.010319 | .36730003 |
| 2 | 2s | 6.305414 | -.76624018 |
| 3 | 3s | 5.328208 | -.16177925 |
| 4 | 4s | 23.738320 | .00248119 |
| 5 | 2s | 5.336985 | -.19452108 |
| 6 | 3s | 17.774002 | .00546302 |
| 7 | 4s | 3.673603 | -.00173445 |
| 8 | 5s | 45.869874 | .00011698 |
| ORB.ENERGY,a.u. | -9.849800 | ||
| NORM | 1.000000 | < R > | .474341 | < R2 > | .266689 | < 1/R > | 3.081852 | < 1/R**2 > | 39.099612 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554917 | 1.01449944 |
| 2 | 2s | 20.544887 | -.02542253 |
| 3 | 3s | 12.090319 | .02045493 |
| 4 | 4s | 16.267374 | -.00018754 |
| 5 | 4s | 31.383955 | .00163459 |
| 6 | 2s | 67.192876 | .00001824 |
| 7 | 5s | 14.507208 | -.00547443 |
| 8 | 3s | 6.589470 | .00045250 |
| 9 | 4s | 3.442680 | -.00001262 |
| ORB.ENERGY,a.u. | -92.338000 |
| NORM | 1.000000 | < R > | .097135 | < R2 > | .012681 | < 1/R > | 15.568068 | < 1/R**2 > | 488.884502 |
Total Energy= -395.39317557 a.u.
Kinetic Energy= 395.39446789 a.u.
Potential Energy= -790.78764346 a.u.
Virial Ratio = -1.99999673