(1s 2 2s 2 2p 6 3s 2 3p 2 5p 1 ) 4 P P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4151.
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 | 2p | 6.566737 | .02257952 |
| 2 | 2p | 17.221667 | .00017521 |
| 3 | 5p | 1.555534 | -.10198895 |
| 4 | 4p | 6.008689 | .01008921 |
| 5 | 4p | .546424 | .63819955 |
| 6 | 5p | .314754 | -1.14491417 |
| 7 | 3p | 1.800162 | -.14854337 |
| 8 | 3p | 1.035212 | .13627242 |
| ORB.ENERGY,a.u. | -.167090 | ||
| NORM | 1.000000 | < R > | 17.892285 | < R2 > | 360.318891 | < 1/R > | .072646 | < 1/R**2 > | .015814 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.103511 | .26482428 |
| 2 | 2p | 1.080851 | -.87852686 |
| 3 | 3p | 1.978302 | -.29201037 |
| 4 | 2p | 8.133327 | .08509221 |
| 5 | 4p | 1.223625 | .12178788 |
| 6 | 3p | 12.427306 | -.00437495 |
| 7 | 4p | 30.086431 | -.00013774 |
| 8 | 5p | .258957 | .00031578 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.131353 | < R2 > | 5.296462 | < 1/R > | .618808 | < 1/R**2 > | .844194 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.355344 | -.17718687 |
| 2 | 1s | 10.700654 | .17034823 |
| 3 | 1s | 41.193454 | .00023389 |
| 4 | 2s | 4.747062 | -.24283651 |
| 5 | 3s | 1.913441 | .83953267 |
| 6 | 4s | 3.411999 | .19431655 |
| 7 | 3s | 29.241886 | -.00058485 |
| 8 | 5s | 1.725165 | .06454334 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.848264 | < R2 > | 3.936774 | < 1/R > | .724873 | < 1/R**2 > | 2.968438 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372682 | .42808851 |
| 2 | 3p | 6.500493 | .49501996 |
| 3 | 2p | 20.147227 | .00249413 |
| 4 | 4p | 5.240076 | .18070584 |
| 5 | 5p | 4.031622 | .01287472 |
| 6 | 3p | 38.556806 | .00006470 |
| 7 | 4p | 82.808220 | -.00000233 |
| 8 | 3p | 1.600531 | .00090163 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483364 | < R2 > | .291778 | < 1/R > | 2.706576 | < 1/R**2 > | 10.286285 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194437 | .35988236 |
| 2 | 2s | 5.437881 | -.77667049 |
| 3 | 3s | 4.856525 | -.17147071 |
| 4 | 4s | 23.620444 | .00226514 |
| 5 | 2s | 6.760273 | -.17609695 |
| 6 | 3s | 15.374220 | .00817279 |
| 7 | 5s | 4.029836 | -.00309232 |
| 8 | 4s | 1.922942 | -.00024944 |
| 9 | 5s | 47.856640 | .00005540 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515323 | < R2 > | .315449 | < 1/R > | 2.833444 | < 1/R**2 > | 33.094057 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.403389 | -.00021476 |
| 2 | 1s | 14.570410 | 1.01425838 |
| 3 | 2s | 21.105375 | -.02188132 |
| 4 | 3s | 11.321536 | .01689845 |
| 5 | 4s | 20.110090 | -.00094969 |
| 6 | 5s | 17.686121 | .00342830 |
| 7 | 5s | 62.487867 | -.00003186 |
| 8 | 4s | 12.074667 | -.00660203 |
| 9 | 2s | 54.222404 | .00013071 |
| 10 | 3s | 7.509793 | .00141295 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573862 | < 1/R**2 > | 428.620323 |
Total Energy= -340.38988707 a.u.
Kinetic Energy= 340.39005687 a.u.
Potential Energy= -680.77994394 a.u.
Virial Ratio = -1.99999950