(1s 2 2s 2 2p 1 3p 1 ) 1 D Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1231.
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 | 3p- electron | |
| 1 | 2p | 2.686868 | .45411139 |
| 2 | 3p | 2.265744 | -1.31498712 |
| 3 | 2p | 7.890348 | .01569772 |
| 4 | 4p | 4.625877 | .01578545 |
| 5 | 5p | 13.740918 | .00146401 |
| 6 | 5p | 2.324349 | -.03558074 |
| ORB.ENERGY,a.u. | -2.372700 | ||
| NORM | 1.000000 | < R > | 1.779130 | < R2 > | 3.506217 | < 1/R > | .637657 | < 1/R**2 > | .525714 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.135683 | 1.01536864 |
| 2 | 3p | 2.019085 | -.28167711 |
| 3 | 2p | 7.927271 | .08524498 |
| 4 | 5p | 9.901395 | .00854405 |
| 5 | 4p | 17.929996 | -.00273520 |
| 6 | 5p | 2.110692 | .05659144 |
| 7 | 3p | 21.408500 | -.00065173 |
| 8 | 4p | 1.834987 | -.03154356 |
| ORB.ENERGY,a.u. | -7.003600 | ||
| NORM | 1.000000 | < R > | .560550 | < R2 > | .429291 | < 1/R > | 2.311372 | < 1/R**2 > | 7.190416 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.727130 | .33387019 |
| 2 | 2s | 3.794503 | -.79514820 |
| 3 | 3s | 5.809182 | -.27409637 |
| 4 | 4s | 20.912024 | .00152633 |
| 5 | 5s | 11.514858 | -.01535693 |
| 6 | 5s | 4.552071 | .02078438 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .660659 | < R2 > | .512387 | < 1/R > | 2.200816 | < 1/R**2 > | 19.639757 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.211575 | .92220572 |
| 2 | 1s | 16.042103 | .08053016 |
| 3 | 2s | 8.874095 | .01662417 |
| 4 | 3s | 11.556611 | -.01617459 |
| 5 | 4s | 55.589502 | -.00007625 |
| 6 | 5s | 25.178572 | .00111856 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141916 | < R2 > | .027028 | < 1/R > | 10.650215 | < 1/R**2 > | 228.935044 |
Total Energy= -144.83375872 a.u.
Kinetic Energy= 144.81818537 a.u.
Potential Energy= -289.65194409 a.u.
Virial Ratio = -2.00010754