(1s 2 2s 2 2p 1 4p 1 ) 3 D Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3241.
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 | 4p- electron | |
| 1 | 2p | 4.981979 | .23733762 |
| 2 | 3p | 1.400838 | -.47777251 |
| 3 | 5p | 1.792978 | 1.10684653 |
| 4 | 4p | 2.654044 | -.67331349 |
| 5 | 5p | 6.421158 | .02545079 |
| 6 | 4p | 15.457095 | -.00285013 |
| 7 | 5p | 1.602104 | .49451393 |
| 8 | 5p | 35.127710 | -.00025582 |
| 9 | 4p | 53.739889 | -.00005189 |
| ORB.ENERGY,a.u. | -1.273900 | ||
| NORM | .999999 | < R > | 3.389788 | < R2 > | 12.988166 | < 1/R > | .415138 | < 1/R**2 > | .485335 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.116367 | 1.10145475 |
| 2 | 3p | 4.901585 | -.13258393 |
| 3 | 2p | 9.692185 | .02978835 |
| 4 | 5p | 11.830939 | .00572193 |
| 5 | 4p | 23.159307 | -.00058421 |
| 6 | 5p | 72.718119 | -.00001172 |
| 7 | 5p | 4.276140 | .00399506 |
| ORB.ENERGY,a.u. | -7.281500 | ||
| NORM | 1.000000 | < R > | .583287 | < R2 > | .413593 | < 1/R > | 2.178780 | < 1/R**2 > | 6.469348 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.720193 | .33540459 |
| 2 | 2s | 3.809271 | -.79421509 |
| 3 | 3s | 5.822791 | -.27517004 |
| 4 | 4s | 20.848282 | .00162581 |
| 5 | 5s | 11.451884 | -.01549040 |
| 6 | 5s | 4.345066 | .02127234 |
| 7 | 4s | 1.989496 | .00052264 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .658190 | < R2 > | .508098 | < 1/R > | 2.208698 | < 1/R**2 > | 19.768010 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.213246 | .92176354 |
| 2 | 1s | 16.006963 | .08099746 |
| 3 | 2s | 8.761173 | .01665764 |
| 4 | 3s | 11.376671 | -.01624187 |
| 5 | 4s | 54.359629 | -.00008361 |
| 6 | 5s | 25.214576 | .00103406 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141877 | < R2 > | .027010 | < 1/R > | 10.652195 | < 1/R**2 > | 229.001641 |
Total Energy= -143.70662160 a.u.
Kinetic Energy= 143.71980749 a.u.
Potential Energy= -287.42642909 a.u.
Virial Ratio = -1.99990825