(1s 2 2s 2 2p 6 3s 2 3p 2 5p 1 ) 2 P P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 4p | .509511 | .64192503 |
| 2 | 5p | .305523 | -1.17906502 |
| 3 | 3p | 2.056750 | -.05146381 |
| 4 | 2p | 9.044224 | .00377990 |
| 5 | 2p | 4.366017 | .01402689 |
| 6 | 5p | 1.641410 | -.05147810 |
| 7 | 4p | 10.477494 | .00063664 |
| 8 | 3p | .457224 | .06926988 |
| 9 | 2p | .078983 | -.00194109 |
| ORB.ENERGY,a.u. | -.165590 | ||
| NORM | .999997 | < R > | 18.665638 | < R2 > | 390.888661 | < 1/R > | .066846 | < 1/R**2 > | .008793 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.948472 | .28418669 |
| 2 | 2p | 1.223674 | -.88766651 |
| 3 | 3p | 1.901677 | -.20229449 |
| 4 | 2p | 7.821311 | .09095721 |
| 5 | 3p | .425391 | .02059160 |
| 6 | 4p | .265405 | -.02602105 |
| 7 | 4p | 13.156316 | -.00236722 |
| 8 | 5p | 31.641501 | -.00009887 |
| 9 | 2p | 22.095605 | .00052559 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.128690 | < R2 > | 5.385302 | < 1/R > | .620205 | < 1/R**2 > | .847377 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.353673 | -.17721270 |
| 2 | 1s | 10.701900 | .17029794 |
| 3 | 1s | 41.162181 | .00023384 |
| 4 | 2s | 4.746747 | -.24277519 |
| 5 | 3s | 1.913284 | .83935734 |
| 6 | 4s | 3.412836 | .19443083 |
| 7 | 3s | 29.288322 | -.00058093 |
| 8 | 5s | 1.728848 | .06455011 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.848201 | < R2 > | 3.936295 | < 1/R > | .724870 | < 1/R**2 > | 2.968315 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372670 | .42809036 |
| 2 | 3p | 6.500491 | .49501832 |
| 3 | 2p | 20.147265 | .00249413 |
| 4 | 4p | 5.240092 | .18070517 |
| 5 | 5p | 4.031832 | .01287350 |
| 6 | 3p | 38.549268 | .00006474 |
| 7 | 4p | 82.707853 | -.00000233 |
| 8 | 3p | 1.598069 | .00090356 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483363 | < R2 > | .291777 | < 1/R > | 2.706579 | < 1/R**2 > | 10.286304 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194442 | .35988228 |
| 2 | 2s | 5.437881 | -.77667032 |
| 3 | 3s | 4.856534 | -.17147061 |
| 4 | 4s | 23.620399 | .00226521 |
| 5 | 2s | 6.760273 | -.17609691 |
| 6 | 3s | 15.374378 | .00817274 |
| 7 | 5s | 4.029678 | -.00309261 |
| 8 | 4s | 1.919534 | -.00025011 |
| 9 | 5s | 47.868023 | .00005535 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515322 | < R2 > | .315449 | < 1/R > | 2.833445 | < 1/R**2 > | 33.094078 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.403466 | -.00021477 |
| 2 | 1s | 14.570410 | 1.01425839 |
| 3 | 2s | 21.105379 | -.02188133 |
| 4 | 3s | 11.321538 | .01689844 |
| 5 | 4s | 20.110067 | -.00094969 |
| 6 | 5s | 17.686108 | .00342830 |
| 7 | 5s | 62.486305 | -.00003186 |
| 8 | 4s | 12.074670 | -.00660202 |
| 9 | 2s | 54.222259 | .00013071 |
| 10 | 3s | 7.509780 | .00141295 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573862 | < 1/R**2 > | 428.620325 |
Total Energy= -340.38978349 a.u.
Kinetic Energy= 340.38838506 a.u.
Potential Energy= -680.77816855 a.u.
Virial Ratio = -2.00000411