(1s 2 2s 2 2p 4 ) 1 D Ne 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1221.
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 | 2.744833 | .75129316 |
| 2 | 2p | 4.868017 | .26113665 |
| 3 | 2p | 9.673141 | .01704173 |
| 4 | 3p | 3.051009 | -.01561199 |
| 5 | 4p | 2.563233 | .04452406 |
| 6 | 5p | 12.562632 | .00298450 |
| ORB.ENERGY,a.u. | -2.141900 | ||
| NORM | 1.000000 | < R > | .809323 | < R2 > | .823579 | < 1/R > | 1.632264 | < 1/R**2 > | 3.788274 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.334921 | .31729755 |
| 2 | 2s | 3.730776 | -.83244617 |
| 3 | 3s | 3.005135 | -.29234267 |
| 4 | 4s | 12.712336 | .01339424 |
| 5 | 3s | 15.427435 | .00529757 |
| 6 | 5s | 40.354509 | -.00007208 |
| 7 | 5s | 2.757185 | .01114074 |
| 8 | 4s | 2.034769 | -.00802505 |
| 9 | 3s | 1.333862 | .00166125 |
| 10 | 2s | 45.430537 | .00002748 |
| ORB.ENERGY,a.u. | -3.109400 | ||
| NORM | 1.000000 | < R > | .827509 | < R2 > | .816982 | < 1/R > | 1.748338 | < 1/R**2 > | 12.560960 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.065070 | .86792751 |
| 2 | 1s | 13.163242 | .14064737 |
| 3 | 1s | 2.262908 | -.00288875 |
| 4 | 3s | 6.389079 | .00739166 |
| 5 | 4s | 19.364681 | .00288251 |
| 6 | 2s | 8.149295 | -.00800337 |
| 7 | 5s | 57.861240 | -.00002504 |
| 8 | 5s | 4.213302 | .00112973 |
| ORB.ENERGY,a.u. | -33.976000 |
| NORM | 1.000000 | < R > | .157445 | < R2 > | .033367 | < 1/R > | 9.624500 | < 1/R**2 > | 187.383274 |
Total Energy= -126.37166245 a.u.
Kinetic Energy= 126.24672162 a.u.
Potential Energy= -252.61838407 a.u.
Virial Ratio = -2.00098966