(1s 2 2s 1 2p 1 ) 3 P Na 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 4.251352 | .94290774 |
| 2 | 2p | 8.277309 | .04223934 |
| 3 | 2p | 12.771326 | .00911582 |
| 4 | 3p | 7.215207 | .03973623 |
| 5 | 4p | 4.689704 | -.02420929 |
| 6 | 5p | 54.049045 | .00002926 |
| ORB.ENERGY,a.u. | -9.116300 | ||
| NORM | 1.000000 | < R > | .560840 | < R2 > | .379887 | < 1/R > | 2.249861 | < 1/R**2 > | 6.847039 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.362175 | .37090467 |
| 2 | 2s | 4.318295 | -.77840067 |
| 3 | 3s | 5.419726 | -.29236938 |
| 4 | 5s | 9.788294 | -.02418405 |
| 5 | 4s | 19.254916 | .00628315 |
| 6 | 5s | 25.115859 | -.00132977 |
| 7 | 3s | 38.736047 | .00008108 |
| ORB.ENERGY,a.u. | -9.784600 | ||
| NORM | 1.000000 | < R > | .633445 | < R2 > | .468697 | < 1/R > | 2.303263 | < 1/R**2 > | 21.437661 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.445525 | .94109381 |
| 2 | 1s | 16.999622 | .05035209 |
| 3 | 2s | 11.907463 | .01209513 |
| 4 | 3s | 11.365428 | .00179998 |
| 5 | 4s | 41.618772 | -.00071886 |
| 6 | 5s | 54.528719 | .00027508 |
| 7 | 5s | 11.964058 | .00233333 |
| 8 | 4s | 4.963395 | -.00013075 |
| ORB.ENERGY,a.u. | -49.899000 |
| NORM | 1.000000 | < R > | .141717 | < R2 > | .026935 | < 1/R > | 10.660354 | < 1/R**2 > | 229.290572 |
Total Energy= -134.19784975 a.u.
Kinetic Energy= 134.34464365 a.u.
Potential Energy= -268.54249340 a.u.
Virial Ratio = -1.99890733