(1s 2 2s 2 2p 1 3d 1 ) 1 D Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
| 1 | 3d | 2.115451 | 1.12363725 |
| 2 | 3d | 4.778131 | .03980055 |
| 3 | 4d | 2.484747 | -.14952335 |
| 4 | 5d | 14.432252 | -.00024379 |
| 5 | 4d | 34.273301 | .00001206 |
| ORB.ENERGY,a.u. | -2.128200 | ||
| NORM | 1.000000 | < R > | 1.599004 | < R2 > | 2.955469 | < 1/R > | .741282 | < 1/R**2 > | .674207 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.111393 | 1.08367531 |
| 2 | 3p | 5.099148 | -.12043454 |
| 3 | 2p | 9.353472 | .03302486 |
| 4 | 5p | 11.330540 | .00720797 |
| 5 | 4p | 22.877407 | -.00075423 |
| 6 | 5p | 3.839664 | .01106842 |
| 7 | 5p | 71.213488 | -.00001677 |
| ORB.ENERGY,a.u. | -6.978900 | ||
| NORM | 1.000000 | < R > | .590383 | < R2 > | .424890 | < 1/R > | 2.158163 | < 1/R**2 > | 6.362897 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.735514 | .33370815 |
| 2 | 2s | 3.787619 | -.79405397 |
| 3 | 3s | 5.862125 | -.27326824 |
| 4 | 4s | 20.923516 | .00154552 |
| 5 | 5s | 11.484959 | -.01578687 |
| 6 | 5s | 4.394228 | .01900398 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .660316 | < R2 > | .511965 | < 1/R > | 2.202494 | < 1/R**2 > | 19.667538 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.213988 | .92131575 |
| 2 | 1s | 16.008036 | .08124425 |
| 3 | 2s | 9.077771 | .01618370 |
| 4 | 3s | 11.595877 | -.01583221 |
| 5 | 4s | 57.742204 | -.00006521 |
| 6 | 5s | 25.387918 | .00121576 |
| 7 | 4s | 5.948469 | .00017072 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141845 | < R2 > | .026996 | < 1/R > | 10.653850 | < 1/R**2 > | 229.058300 |
Total Energy= -144.53089395 a.u.
Kinetic Energy= 144.57461837 a.u.
Potential Energy= -289.10551232 a.u.
Virial Ratio = -1.99969757