(1s 2 2s 2 2p 1 3d 1 ) 3 F Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3332.
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 | 3d- electron | |
| 1 | 3d | 2.084213 | .88858650 |
| 2 | 3d | 4.248618 | .08897713 |
| 3 | 4d | 3.383960 | .06162403 |
| 4 | 5d | 5.272757 | -.00952250 |
| 5 | 4d | 28.209714 | .00004749 |
| ORB.ENERGY,a.u. | -2.121400 | ||
| NORM | 1.000000 | < R > | 1.592277 | < R2 > | 2.936049 | < 1/R > | .746327 | < 1/R**2 > | .685725 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.077649 | 1.11977471 |
| 2 | 3p | 5.090945 | -.16384512 |
| 3 | 2p | 8.498895 | .03953994 |
| 4 | 5p | 9.125469 | .00899793 |
| 5 | 4p | 17.038186 | -.00304011 |
| 6 | 3p | 19.711022 | -.00090347 |
| 7 | 5p | 3.551686 | .01179670 |
| ORB.ENERGY,a.u. | -6.972100 | ||
| NORM | 1.000000 | < R > | .592680 | < R2 > | .429040 | < 1/R > | 2.153032 | < 1/R**2 > | 6.339583 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.736127 | .33366162 |
| 2 | 2s | 3.786970 | -.79399390 |
| 3 | 3s | 5.864004 | -.27322620 |
| 4 | 4s | 20.942759 | .00154108 |
| 5 | 5s | 11.480550 | -.01581759 |
| 6 | 5s | 4.390293 | .01893097 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .660350 | < R2 > | .512028 | < 1/R > | 2.202395 | < 1/R**2 > | 19.665852 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.217596 | .92226807 |
| 2 | 1s | 16.042968 | .08025056 |
| 3 | 2s | 9.102917 | .01620491 |
| 4 | 3s | 11.651590 | -.01580882 |
| 5 | 4s | 58.148080 | -.00006418 |
| 6 | 5s | 25.337711 | .00124304 |
| 7 | 5s | 6.784112 | .00015426 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141843 | < R2 > | .026995 | < 1/R > | 10.653930 | < 1/R**2 > | 229.060981 |
Total Energy= -144.52945816 a.u.
Kinetic Energy= 144.56786011 a.u.
Potential Energy= -289.09731826 a.u.
Virial Ratio = -1.99973437