(1s 2 2s 2 2p 6 3s 2 3p 2 5s 1 ) 4 P S +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4150.
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 | 13.144707 | .02329969 |
| 2 | 2s | 5.283243 | -.08628931 |
| 3 | 3s | 2.323944 | .23968349 |
| 4 | 4s | 1.031273 | -.92596226 |
| 5 | 5s | .639251 | 1.17225428 |
| 6 | 4s | 13.336093 | -.00278094 |
| 7 | 3s | .656621 | .18020524 |
| 8 | 5s | 4.752676 | .01661224 |
| ORB.ENERGY,a.u. | -.323420 | ||
| NORM | 1.000000 | < R > | 9.016542 | < R2 > | 90.889050 | < 1/R > | .147485 | < 1/R**2 > | .185514 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.487321 | .32662982 |
| 2 | 2p | 1.478320 | -.75082481 |
| 3 | 3p | 2.179550 | -.35305308 |
| 4 | 2p | 8.857932 | .09146255 |
| 5 | 4p | 1.102709 | .00560701 |
| 6 | 3p | 13.751144 | -.00387586 |
| 7 | 4p | 32.295585 | -.00013696 |
| 8 | 3p | .462792 | .00090088 |
| ORB.ENERGY,a.u. | -.994800 | ||
| NORM | 1.000000 | < R > | 1.774332 | < R2 > | 3.646961 | < 1/R > | .747992 | < 1/R**2 > | 1.233626 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.317249 | 1.98368873 |
| 2 | 1s | 15.480519 | .03954032 |
| 3 | 2s | 5.588654 | -1.05290459 |
| 4 | 3s | 1.434679 | -.20044914 |
| 5 | 4s | 4.544897 | -.35612851 |
| 6 | 5s | 7.288762 | -.12338483 |
| 7 | 4s | .510739 | -.10247896 |
| 8 | 3s | 51.336879 | -.00025976 |
| 9 | 4s | 75.974152 | .00008408 |
| 10 | 5s | .573518 | .05808819 |
| 11 | 2s | .381749 | .05209918 |
| 12 | 2s | 163.413111 | -.00000234 |
| ORB.ENERGY,a.u. | -1.548400 | ||
| NORM | 1.000000 | < R > | 1.599099 | < R2 > | 2.930903 | < 1/R > | .844616 | < 1/R**2 > | 4.111553 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.080847 | .42992080 |
| 2 | 3p | 7.049689 | .50740936 |
| 3 | 4p | 5.662943 | .16635578 |
| 4 | 5p | 4.167234 | .00817094 |
| 5 | 2p | 26.899218 | .00118985 |
| 6 | 3p | 27.540568 | .00066081 |
| 7 | 4p | 1.917733 | .00037195 |
| 8 | 5p | 47.141797 | -.00002706 |
| ORB.ENERGY,a.u. | -7.085200 | ||
| NORM | 1.000000 | < R > | .440616 | < R2 > | .241529 | < 1/R > | 2.956534 | < 1/R**2 > | 12.217509 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.997403 | .36735415 |
| 2 | 2s | 6.341043 | -.76589939 |
| 3 | 3s | 5.367430 | -.16527475 |
| 4 | 4s | 25.578212 | .00210766 |
| 5 | 2s | 5.217810 | -.19289684 |
| 6 | 3s | 16.682916 | .00671573 |
| 7 | 4s | 3.069562 | -.00543245 |
| 8 | 5s | 1.919509 | -.00473483 |
| 9 | 3s | 1.486303 | .00698221 |
| 10 | 5s | 52.680679 | .00003516 |
| ORB.ENERGY,a.u. | -9.396800 | ||
| NORM | 1.000000 | < R > | .475037 | < R2 > | .267581 | < 1/R > | 3.077643 | < 1/R**2 > | 39.002397 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554488 | 1.01449628 |
| 2 | 2s | 21.754576 | -.02193032 |
| 3 | 3s | 10.719613 | .02053508 |
| 4 | 4s | 64.136745 | -.00032728 |
| 5 | 4s | 11.368963 | .00171440 |
| 6 | 5s | 84.415585 | .00010261 |
| 7 | 5s | 13.173035 | -.00938980 |
| 8 | 2s | 194.882925 | .00000082 |
| 9 | 3s | 1.887250 | -.00011847 |
| 10 | 2s | 1.492990 | .00012063 |
| 11 | 3s | 163.516534 | -.00000062 |
| ORB.ENERGY,a.u. | -91.855000 |
| NORM | 1.000000 | < R > | .097143 | < R2 > | .012684 | < 1/R > | 15.567274 | < 1/R**2 > | 488.846130 |
Total Energy= -396.49926830 a.u.
Kinetic Energy= 396.50108511 a.u.
Potential Energy= -793.00035341 a.u.
Virial Ratio = -1.99999542