(1s 2 2s 2 2p 1 5d 1 ) 3 F Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3352.
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 | 5d- electron | |
| 1 | 3d | 1.614805 | 1.27160210 |
| 2 | 4d | 1.333108 | -3.68950474 |
| 3 | 5d | 1.200330 | 3.08458006 |
| 4 | 3d | 3.721226 | .06842854 |
| 5 | 5d | 5.606909 | -.01212572 |
| 6 | 5d | .942078 | -.02351278 |
| 7 | 4d | 22.749433 | .00005857 |
| 8 | 3d | 40.743831 | .00000291 |
| ORB.ENERGY,a.u. | -.746650 | ||
| NORM | .999999 | < R > | 5.523259 | < R2 > | 34.649449 | < 1/R > | .253714 | < 1/R**2 > | .136872 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.143167 | 1.07666881 |
| 2 | 3p | 4.973129 | -.10725286 |
| 3 | 2p | 9.898431 | .02866587 |
| 4 | 5p | 12.625643 | .00548860 |
| 5 | 4p | 24.577764 | -.00027699 |
| 6 | 5p | 4.287070 | .01444061 |
| 7 | 3p | 38.525221 | -.00001384 |
| 8 | 4p | 3.278273 | -.00728184 |
| 9 | 3p | .571719 | .00022549 |
| ORB.ENERGY,a.u. | -7.407000 | ||
| NORM | 1.000000 | < R > | .584455 | < R2 > | .415131 | < 1/R > | 2.174368 | < 1/R**2 > | 6.444488 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.720203 | .33581126 |
| 2 | 2s | 3.808394 | -.79576546 |
| 3 | 3s | 5.830830 | -.27448663 |
| 4 | 4s | 20.930678 | .00158369 |
| 5 | 5s | 11.469284 | -.01581255 |
| 6 | 5s | 4.314088 | .02326829 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .657414 | < R2 > | .506826 | < 1/R > | 2.211374 | < 1/R**2 > | 19.812040 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.216504 | .92213047 |
| 2 | 1s | 16.040689 | .08039160 |
| 3 | 2s | 9.081404 | .01630694 |
| 4 | 3s | 11.635587 | -.01588012 |
| 5 | 4s | 57.719644 | -.00006582 |
| 6 | 5s | 25.339867 | .00122171 |
| 7 | 5s | 6.779087 | .00013267 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141851 | < R2 > | .026999 | < 1/R > | 10.653499 | < 1/R**2 > | 229.045890 |
Total Energy= -143.18704468 a.u.
Kinetic Energy= 143.19293110 a.u.
Potential Energy= -286.37997579 a.u.
Virial Ratio = -1.99995889