(1s 2 2s 2 2p 6 3s 2 3p 2 5s 1 ) 4 P P 0
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 | 22.261433 | .00584289 |
| 2 | 2s | 4.799379 | -.05723489 |
| 3 | 3s | 2.181905 | .12756970 |
| 4 | 4s | .907373 | -.20516177 |
| 5 | 5s | .390234 | .52714850 |
| 6 | 3s | .501090 | -1.36512943 |
| 7 | 4s | 22.480878 | .00138814 |
| 8 | 2s | .268641 | 1.42928428 |
| 9 | 2s | 17.654875 | .00809156 |
| 10 | 5s | 31.568106 | -.00035371 |
| ORB.ENERGY,a.u. | -.180260 | ||
| NORM | 1.000000 | < R > | 14.244928 | < R2 > | 228.025137 | < 1/R > | .092245 | < 1/R**2 > | .064348 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.101816 | .26320138 |
| 2 | 2p | 1.092523 | -.84290048 |
| 3 | 3p | 1.974691 | -.30226914 |
| 4 | 2p | 8.119404 | .08534540 |
| 5 | 4p | 1.213781 | .09060003 |
| 6 | 3p | 12.324661 | -.00449537 |
| 7 | 4p | 29.955134 | -.00014531 |
| 8 | 5p | .457361 | .00119483 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.137548 | < R2 > | 5.331266 | < 1/R > | .617256 | < 1/R**2 > | .840193 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.159344 | 1.73810497 |
| 2 | 1s | 14.155128 | .04216155 |
| 3 | 2s | 5.156385 | -.90384117 |
| 4 | 3s | .996468 | -.08744636 |
| 5 | 4s | 4.108270 | -.30880709 |
| 6 | 5s | 6.613519 | -.11866124 |
| 7 | 4s | .834554 | .03791558 |
| 8 | 3s | 40.294028 | -.00021963 |
| 9 | 5s | .781587 | -.01173970 |
| 10 | 2s | 66.071848 | -.00002204 |
| 11 | 2s | .193974 | -.00254375 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | .999999 | < R > | 1.848636 | < R2 > | 3.940556 | < 1/R > | .724913 | < 1/R**2 > | 2.969432 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372735 | .42807856 |
| 2 | 3p | 6.500511 | .49503045 |
| 3 | 2p | 20.148601 | .00249377 |
| 4 | 4p | 5.239876 | .18071160 |
| 5 | 5p | 4.031956 | .01287418 |
| 6 | 3p | 38.590702 | .00006445 |
| 7 | 4p | 83.642788 | -.00000232 |
| 8 | 3p | 1.608122 | .00089125 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483368 | < R2 > | .291784 | < 1/R > | 2.706557 | < 1/R**2 > | 10.286159 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194667 | .35988334 |
| 2 | 2s | 5.437932 | -.77666609 |
| 3 | 3s | 4.857008 | -.17146130 |
| 4 | 4s | 23.643448 | .00226733 |
| 5 | 2s | 6.760176 | -.17609777 |
| 6 | 3s | 15.377144 | .00817151 |
| 7 | 5s | 4.028547 | -.00308932 |
| 8 | 4s | 1.905082 | -.00025121 |
| 9 | 5s | 48.482461 | .00005315 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515307 | < R2 > | .315428 | < 1/R > | 2.833527 | < 1/R**2 > | 33.095860 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.410254 | -.00021662 |
| 2 | 1s | 14.570410 | 1.01425921 |
| 3 | 2s | 21.105358 | -.02188133 |
| 4 | 3s | 11.321571 | .01689841 |
| 5 | 4s | 20.111682 | -.00094964 |
| 6 | 5s | 17.686381 | .00342823 |
| 7 | 5s | 62.472803 | -.00003183 |
| 8 | 4s | 12.074573 | -.00660212 |
| 9 | 2s | 54.225103 | .00013069 |
| 10 | 3s | 7.508855 | .00141320 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573877 | < 1/R**2 > | 428.620968 |
Total Energy= -340.40207610 a.u.
Kinetic Energy= 340.40298517 a.u.
Potential Energy= -680.80506127 a.u.
Virial Ratio = -1.99999733