(1s 2 2s 2 2p 4 ) 1 S Ne 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 2.711345 | .74584526 |
| 2 | 2p | 4.871369 | .26705411 |
| 3 | 2p | 9.663975 | .01674269 |
| 4 | 3p | 2.991483 | -.01577354 |
| 5 | 4p | 2.531648 | .04772631 |
| 6 | 5p | 12.630978 | .00300743 |
| ORB.ENERGY,a.u. | -1.955400 | ||
| NORM | 1.000000 | < R > | .816703 | < R2 > | .841001 | < 1/R > | 1.622534 | < 1/R**2 > | 3.754509 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.299950 | .31976093 |
| 2 | 2s | 3.768747 | -.81582851 |
| 3 | 3s | 3.072456 | -.30684606 |
| 4 | 4s | 13.119311 | .01397409 |
| 5 | 3s | 18.791417 | .00363304 |
| 6 | 5s | 35.345139 | -.00016006 |
| 7 | 5s | 1.868984 | -.00039357 |
| 8 | 3s | 25.867262 | -.00074718 |
| ORB.ENERGY,a.u. | -3.109400 | ||
| NORM | 1.000000 | < R > | .826495 | < R2 > | .814935 | < 1/R > | 1.750691 | < 1/R**2 > | 12.593837 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.071028 | .86649174 |
| 2 | 1s | 13.157970 | .14102405 |
| 3 | 1s | 2.162287 | -.00203379 |
| 4 | 2s | 7.931199 | -.00721171 |
| 5 | 3s | 6.440588 | .00694765 |
| 6 | 4s | 19.400803 | .00287776 |
| 7 | 5s | 56.866059 | -.00002590 |
| 8 | 5s | 4.120136 | .00091105 |
| ORB.ENERGY,a.u. | -33.976000 |
| NORM | 1.000000 | < R > | .157431 | < R2 > | .033359 | < 1/R > | 9.625029 | < 1/R**2 > | 187.398982 |
Total Energy= -126.36927624 a.u.
Kinetic Energy= 126.06033224 a.u.
Potential Energy= -252.42960848 a.u.
Virial Ratio = -2.00245076