(1s 2 2s 2 2p 4 4p 1 ) 2 D Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2241.
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 | 4.974499 | .11264361 |
| 2 | 3p | 1.251428 | .98961373 |
| 3 | 4p | 1.749166 | -1.00624990 |
| 4 | 5p | .979461 | 1.11572849 |
| 5 | 4p | 1.294826 | -.63965461 |
| 6 | 5p | 3.292704 | -.11762698 |
| 7 | 3p | 8.415054 | -.00566022 |
| 8 | 3p | .619902 | .10015172 |
| 9 | 4p | 22.777411 | -.00010152 |
| ORB.ENERGY,a.u. | -.368770 | ||
| NORM | 1.000001 | < R > | 5.828081 | < R2 > | 38.393206 | < 1/R > | .233912 | < 1/R**2 > | .157356 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.168946 | 1.32600405 |
| 2 | 3p | 3.799562 | -.40494907 |
| 3 | 2p | 8.356176 | .07312781 |
| 4 | 4p | 9.524743 | .02139289 |
| 5 | 5p | 22.697319 | .00013937 |
| 6 | 5p | .893558 | .00226942 |
| 7 | 4p | 41.211493 | .00003992 |
| 8 | 4p | 3.334086 | -.00337259 |
| 9 | 3p | .367937 | -.00016429 |
| ORB.ENERGY,a.u. | -3.311700 | ||
| NORM | 1.000000 | < R > | .689224 | < R2 > | .591671 | < 1/R > | 1.896066 | < 1/R**2 > | 5.053287 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.075455 | .33466075 |
| 2 | 2s | 4.224496 | -.83262710 |
| 3 | 3s | 3.526120 | -.29714796 |
| 4 | 4s | 13.958238 | .01063775 |
| 5 | 3s | 15.294712 | .00469001 |
| 6 | 5s | 28.903257 | .00033167 |
| 7 | 5s | 4.118988 | .00614743 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .728063 | < R2 > | .629925 | < 1/R > | 1.991063 | < 1/R**2 > | 16.278471 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243316 | .91124362 |
| 2 | 1s | 15.433675 | .08736803 |
| 3 | 2s | 5.651801 | .01839153 |
| 4 | 3s | 7.084367 | -.01933031 |
| 5 | 4s | 9.032365 | .00954217 |
| 6 | 5s | 26.160627 | .00113502 |
| 7 | 4s | 61.426096 | -.00004927 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142643 | < R2 > | .027374 | < 1/R > | 10.616766 | < 1/R**2 > | 227.836266 |
Total Energy= -157.79403199 a.u.
Kinetic Energy= 157.79248886 a.u.
Potential Energy= -315.58652085 a.u.
Virial Ratio = -2.00000978