(1s 2 2s 2 2p 1 5d 1 ) 1 F Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1352.
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 | 1.196646 | 3.55990769 |
| 2 | 4d | 1.202640 | -8.93986190 |
| 3 | 5d | 1.207567 | 6.02769674 |
| 4 | 3d | 3.960989 | .02508944 |
| 5 | 5d | 5.797818 | -.00937731 |
| 6 | 5d | 1.030979 | .03836876 |
| 7 | 4d | 10.974167 | .00020518 |
| 8 | 3d | 13.851599 | .00013895 |
| ORB.ENERGY,a.u. | -.723870 | ||
| NORM | .999992 | < R > | 5.705217 | < R2 > | 36.985415 | < 1/R > | .244626 | < 1/R**2 > | .123471 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.115356 | 1.10082698 |
| 2 | 3p | 4.942485 | -.13077632 |
| 3 | 2p | 9.420946 | .03218778 |
| 4 | 5p | 11.363247 | .00469665 |
| 5 | 4p | 20.024674 | -.00135088 |
| 6 | 5p | 3.000909 | .00191179 |
| 7 | 5p | 41.649315 | -.00003899 |
| 8 | 3p | 32.470953 | -.00008673 |
| 9 | 3p | .597154 | -.00023395 |
| ORB.ENERGY,a.u. | -7.384300 | ||
| NORM | 1.000000 | < R > | .583265 | < R2 > | .413517 | < 1/R > | 2.178524 | < 1/R**2 > | 6.467037 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.718194 | .33593461 |
| 2 | 2s | 3.811395 | -.79541509 |
| 3 | 3s | 5.828195 | -.27459930 |
| 4 | 4s | 20.900588 | .00160698 |
| 5 | 5s | 11.459233 | -.01574611 |
| 6 | 5s | 4.312504 | .02271604 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .657391 | < R2 > | .506793 | < 1/R > | 2.211480 | < 1/R**2 > | 19.814149 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.213785 | .92143040 |
| 2 | 1s | 15.999052 | .08124803 |
| 3 | 2s | 8.834061 | .01659987 |
| 4 | 3s | 11.375646 | -.01613917 |
| 5 | 4s | 53.532102 | -.00008410 |
| 6 | 5s | 25.508693 | .00100265 |
| 7 | 4s | 5.163417 | .00007760 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141853 | < R2 > | .026999 | < 1/R > | 10.653416 | < 1/R**2 > | 229.043076 |
Total Energy= -143.18637230 a.u.
Kinetic Energy= 143.17014974 a.u.
Potential Energy= -286.35652204 a.u.
Virial Ratio = -2.00011331