(1s 2 2s 2 2p 6 3s 1 5s 1 ) 1 S S 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 14.488033 | .02366195 |
| 2 | 2s | 4.231989 | -.09323643 |
| 3 | 3s | 1.957200 | .88719841 |
| 4 | 4s | 1.519512 | -2.28911852 |
| 5 | 5s | 1.199827 | 2.03152339 |
| 6 | 5s | 10.471050 | -.01778224 |
| 7 | 4s | 13.871812 | -.01747477 |
| 8 | 3s | 18.119450 | -.00287340 |
| 9 | 2s | .621044 | -.02191945 |
| ORB.ENERGY,a.u. | -.700500 | ||
| NORM | 1.000000 | < R > | 5.388150 | < R2 > | 32.232169 | < 1/R > | .231623 | < 1/R**2 > | .275497 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | .843697 | 2.54160888 |
| 2 | 1s | 14.086095 | .08510067 |
| 3 | 2s | 5.513234 | -.93482215 |
| 4 | 3s | 1.405209 | -1.59784720 |
| 5 | 4s | 3.209545 | .31924379 |
| 6 | 5s | 18.515508 | -.00429736 |
| 7 | 4s | 5.269236 | -.27708968 |
| 8 | 5s | .634436 | -.02381079 |
| 9 | 2s | .422905 | .04733590 |
| ORB.ENERGY,a.u. | -2.601800 | ||
| NORM | 1.000001 | < R > | 1.431989 | < R2 > | 2.516309 | < 1/R > | .981691 | < 1/R**2 > | 5.751523 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.900683 | .44842882 |
| 2 | 3p | 6.999866 | .48692186 |
| 3 | 5p | 4.874088 | .00992761 |
| 4 | 4p | 5.790672 | .15982490 |
| 5 | 2p | 19.395141 | .00359209 |
| 6 | 5p | 38.308456 | -.00015582 |
| 7 | 3p | 92.449424 | .00000217 |
| 8 | 4p | 1.030386 | .00002146 |
| ORB.ENERGY,a.u. | -8.689900 | ||
| NORM | 1.000000 | < R > | .437723 | < R2 > | .237772 | < 1/R > | 2.970491 | < 1/R**2 > | 12.315451 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.938740 | .37089214 |
| 2 | 2s | 6.562542 | -.82786895 |
| 3 | 3s | 5.699796 | -.30153250 |
| 4 | 4s | 26.506040 | .00180902 |
| 5 | 3s | 16.055725 | .00876074 |
| 6 | 2s | 3.315879 | -.01223234 |
| 7 | 5s | 1.166502 | .00453760 |
| 8 | 4s | 1.038149 | -.00436264 |
| ORB.ENERGY,a.u. | -11.103000 | ||
| NORM | 1.000000 | < R > | .473585 | < R2 > | .265747 | < 1/R > | 3.086455 | < 1/R**2 > | 39.205005 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.602372 | 1.00994808 |
| 2 | 2s | 21.951401 | -.01867278 |
| 3 | 3s | 12.523976 | .01836558 |
| 4 | 3s | 73.517389 | -.00010711 |
| 5 | 4s | 9.999005 | .00183258 |
| 6 | 4s | 54.462942 | -.00036080 |
| 7 | 5s | 13.795978 | -.00440677 |
| 8 | 2s | 121.714310 | -.00000449 |
| 9 | 3s | 2.323365 | .00009849 |
| 10 | 5s | 3.091540 | -.00009157 |
| ORB.ENERGY,a.u. | -93.690000 |
| NORM | 1.000000 | < R > | .097124 | < R2 > | .012678 | < 1/R > | 15.569252 | < 1/R**2 > | 488.944514 |
Total Energy= -391.47972317 a.u.
Kinetic Energy= 391.47390505 a.u.
Potential Energy= -782.95362822 a.u.
Virial Ratio = -2.00001486