(1s 2 2s 2 2p 1 3p 1 ) 1 S Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 1.903861 | .85159478 |
| 2 | 3p | 2.220663 | -1.79394245 |
| 3 | 2p | 6.817295 | .02843663 |
| 4 | 4p | 4.956327 | .05467274 |
| 5 | 5p | 14.702584 | .00114231 |
| 6 | 5p | 2.215852 | -.04557147 |
| ORB.ENERGY,a.u. | -2.328600 | ||
| NORM | 1.000000 | < R > | 1.804649 | < R2 > | 3.604592 | < 1/R > | .627251 | < 1/R**2 > | .504257 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.244152 | 1.03902495 |
| 2 | 3p | 1.928644 | -.26997851 |
| 3 | 2p | 9.381230 | .04397821 |
| 4 | 5p | 12.888795 | .00669126 |
| 5 | 4p | 27.024791 | -.00018461 |
| 6 | 5p | 1.961217 | .05836806 |
| 7 | 5p | 95.290223 | -.00000222 |
| 8 | 4p | 1.466827 | -.02455560 |
| 9 | 3p | .959523 | .00422887 |
| ORB.ENERGY,a.u. | -6.959400 | ||
| NORM | 1.000000 | < R > | .558388 | < R2 > | .422985 | < 1/R > | 2.313225 | < 1/R**2 > | 7.196636 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.726547 | .33396221 |
| 2 | 2s | 3.795313 | -.79527769 |
| 3 | 3s | 5.805759 | -.27417340 |
| 4 | 4s | 20.917419 | .00151296 |
| 5 | 5s | 11.526708 | -.01541654 |
| 6 | 5s | 4.556596 | .02113123 |
| 7 | 4s | 1.309953 | -.00006776 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .660537 | < R2 > | .512178 | < 1/R > | 2.201217 | < 1/R**2 > | 19.646498 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.211586 | .92220574 |
| 2 | 1s | 16.042100 | .08053009 |
| 3 | 2s | 8.871856 | .01663218 |
| 4 | 3s | 11.555346 | -.01618443 |
| 5 | 4s | 55.592335 | -.00007585 |
| 6 | 5s | 25.183328 | .00112012 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141916 | < R2 > | .027028 | < 1/R > | 10.650228 | < 1/R**2 > | 228.935480 |
Total Energy= -144.83170083 a.u.
Kinetic Energy= 144.77406351 a.u.
Potential Energy= -289.60576434 a.u.
Virial Ratio = -2.00039812