(1s 2 2s 2 2p 1 3p 1 ) 3 D Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3231.
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 | 3.403724 | .52328709 |
| 2 | 3p | 2.164347 | -1.24425130 |
| 3 | 2p | 7.249086 | .06732811 |
| 4 | 4p | 8.607275 | .01909571 |
| 5 | 5p | 2.097014 | .03611772 |
| 6 | 5p | 27.973205 | -.00015471 |
| 7 | 4p | 1.703401 | -.01313072 |
| 8 | 3p | 30.480145 | -.00002023 |
| ORB.ENERGY,a.u. | -2.390900 | ||
| NORM | 1.000000 | < R > | 1.750288 | < R2 > | 3.498118 | < 1/R > | .769513 | < 1/R**2 > | 1.233261 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.074487 | 1.10740066 |
| 2 | 3p | 4.667103 | -.14637547 |
| 3 | 2p | 9.321935 | .03627095 |
| 4 | 5p | 11.474015 | .00615529 |
| 5 | 4p | 22.118643 | -.00085560 |
| 6 | 5p | 3.988070 | .00523834 |
| 7 | 4p | 50.543953 | -.00003040 |
| 8 | 4p | 2.944116 | -.00057493 |
| ORB.ENERGY,a.u. | -7.021700 | ||
| NORM | 1.000000 | < R > | .582206 | < R2 > | .412233 | < 1/R > | 2.183088 | < 1/R**2 > | 6.494019 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.728136 | .33378226 |
| 2 | 2s | 3.793100 | -.79518080 |
| 3 | 3s | 5.811451 | -.27400725 |
| 4 | 4s | 20.917408 | .00152238 |
| 5 | 5s | 11.513162 | -.01538107 |
| 6 | 5s | 4.546226 | .02080912 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .660727 | < R2 > | .512501 | < 1/R > | 2.200586 | < 1/R**2 > | 19.635829 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.212390 | .92214192 |
| 2 | 1s | 16.040048 | .08052041 |
| 3 | 2s | 8.878257 | .01665153 |
| 4 | 3s | 11.558615 | -.01611946 |
| 5 | 4s | 55.799027 | -.00007588 |
| 6 | 5s | 25.160595 | .00112640 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141917 | < R2 > | .027028 | < 1/R > | 10.650189 | < 1/R**2 > | 228.934067 |
Total Energy= -144.79544122 a.u.
Kinetic Energy= 144.83628275 a.u.
Potential Energy= -289.63172396 a.u.
Virial Ratio = -1.99971802