(1s 2 2s 2 2p 4 3p 1 ) 4 S Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4031.
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 | 3.209198 | .20474407 |
| 2 | 3p | 1.196511 | -.80640395 |
| 3 | 4p | 1.784890 | -.24418592 |
| 4 | 2p | 6.384544 | .06185759 |
| 5 | 5p | 9.006786 | .00565584 |
| 6 | 5p | 24.224945 | -.00045808 |
| 7 | 5p | 1.175234 | .02031668 |
| 8 | 4p | 36.445834 | -.00008922 |
| ORB.ENERGY,a.u. | -.725280 | ||
| NORM | 1.000000 | < R > | 2.839867 | < R2 > | 9.183925 | < 1/R > | .451297 | < 1/R**2 > | .428748 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.218817 | 1.32153546 |
| 2 | 3p | 3.890034 | -.39450294 |
| 3 | 2p | 8.503798 | .06579520 |
| 4 | 4p | 9.691314 | .01851203 |
| 5 | 5p | 29.466078 | .00002771 |
| 6 | 5p | 1.652901 | -.01482064 |
| 7 | 4p | 45.938843 | .00002401 |
| 8 | 4p | 1.478974 | .01605800 |
| ORB.ENERGY,a.u. | -3.069200 | ||
| NORM | 1.000000 | < R > | .689467 | < R2 > | .591924 | < 1/R > | 1.895405 | < 1/R**2 > | 5.050051 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.078799 | .33400425 |
| 2 | 2s | 4.228165 | -.82898274 |
| 3 | 3s | 3.557045 | -.29476757 |
| 4 | 4s | 13.834579 | .01116608 |
| 5 | 3s | 15.738655 | .00446348 |
| 6 | 5s | 27.193578 | .00042351 |
| 7 | 5s | 2.630305 | -.00194029 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .729227 | < R2 > | .632257 | < 1/R > | 1.988190 | < 1/R**2 > | 16.235605 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.242894 | .91124922 |
| 2 | 1s | 15.434228 | .08736504 |
| 3 | 2s | 5.648377 | .01843347 |
| 4 | 3s | 7.070963 | -.01936846 |
| 5 | 4s | 9.010932 | .00958768 |
| 6 | 5s | 26.038028 | .00111191 |
| 7 | 4s | 61.083701 | -.00005503 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142654 | < R2 > | .027379 | < 1/R > | 10.616253 | < 1/R**2 > | 227.819217 |
Total Energy= -158.16398169 a.u.
Kinetic Energy= 158.14893367 a.u.
Potential Energy= -316.31291536 a.u.
Virial Ratio = -2.00009515