(1s 2 2s 2 2p 6 3s 2 3p 2 5p 1 ) 4 S P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4051.
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 | 7.114684 | .00610899 |
| 2 | 2p | .791239 | .02127358 |
| 3 | 5p | 1.343241 | -.09068799 |
| 4 | 4p | 6.755470 | .00336936 |
| 5 | 4p | .473872 | .83051252 |
| 6 | 5p | .303965 | -1.41082484 |
| 7 | 3p | 1.381154 | -.07282839 |
| 8 | 3p | .186009 | .15373624 |
| ORB.ENERGY,a.u. | -.165570 | ||
| NORM | 1.000002 | < R > | 18.969354 | < R2 > | 401.495841 | < 1/R > | .064394 | < 1/R**2 > | .006681 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.888640 | .28845617 |
| 2 | 2p | 1.238161 | -.92579741 |
| 3 | 3p | 1.899133 | -.16547062 |
| 4 | 2p | 7.692681 | .09530144 |
| 5 | 3p | .223660 | .05722505 |
| 6 | 4p | .332464 | -.05520749 |
| 7 | 4p | 12.460904 | -.00311720 |
| 8 | 5p | 30.889271 | -.00010149 |
| 9 | 2p | 21.236937 | .00066158 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.134391 | < R2 > | 5.395463 | < 1/R > | .618715 | < 1/R**2 > | .843710 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.348597 | -.17738604 |
| 2 | 1s | 10.703569 | .17026975 |
| 3 | 1s | 41.123796 | .00023401 |
| 4 | 2s | 4.747059 | -.24270819 |
| 5 | 3s | 1.914108 | .83926896 |
| 6 | 4s | 3.412588 | .19455390 |
| 7 | 3s | 29.336829 | -.00057687 |
| 8 | 5s | 1.728625 | .06462459 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.847652 | < R2 > | 3.933941 | < 1/R > | .725108 | < 1/R**2 > | 2.970368 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372417 | .42813249 |
| 2 | 3p | 6.500503 | .49497904 |
| 3 | 2p | 20.148770 | .00249405 |
| 4 | 4p | 5.240461 | .18068501 |
| 5 | 5p | 4.035469 | .01285583 |
| 6 | 3p | 38.386551 | .00006559 |
| 7 | 4p | 80.773745 | -.00000234 |
| 8 | 3p | 1.596299 | .00090925 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483342 | < R2 > | .291746 | < 1/R > | 2.706660 | < 1/R**2 > | 10.286820 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194591 | .35988303 |
| 2 | 2s | 5.437917 | -.77666765 |
| 3 | 3s | 4.856923 | -.17146318 |
| 4 | 4s | 23.633302 | .00226726 |
| 5 | 2s | 6.760192 | -.17609778 |
| 6 | 3s | 15.375493 | .00817219 |
| 7 | 5s | 4.031586 | -.00308639 |
| 8 | 4s | 1.921404 | -.00024954 |
| 9 | 5s | 48.301309 | .00005401 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515311 | < R2 > | .315432 | < 1/R > | 2.833503 | < 1/R**2 > | 33.095273 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.421307 | -.00021627 |
| 2 | 1s | 14.570410 | 1.01425921 |
| 3 | 2s | 21.105435 | -.02188145 |
| 4 | 3s | 11.321562 | .01689844 |
| 5 | 4s | 20.112933 | -.00094958 |
| 6 | 5s | 17.686877 | .00342809 |
| 7 | 5s | 62.453022 | -.00003186 |
| 8 | 4s | 12.074545 | -.00660209 |
| 9 | 2s | 54.220791 | .00013075 |
| 10 | 3s | 7.509482 | .00141311 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573876 | < 1/R**2 > | 428.620933 |
Total Energy= -340.38786715 a.u.
Kinetic Energy= 340.37933620 a.u.
Potential Energy= -680.76720335 a.u.
Virial Ratio = -2.00002506