(1s 2 2s 1 5s 1 ) 1 S N 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 5s- electron | |
| 1 | 1s | 3.266477 | .04427335 |
| 2 | 2s | .707477 | -4.30306910 |
| 3 | 3s | .996055 | 7.68426332 |
| 4 | 4s | .854643 | -8.95853864 |
| 5 | 5s | .856734 | 7.26512179 |
| 6 | 5s | 1.374751 | -.67591012 |
| 7 | 1s | 6.847530 | .01981201 |
| 8 | 3s | 9.810827 | .00135213 |
| 9 | 4s | 21.096632 | -.00014514 |
| ORB.ENERGY,a.u. | -.357970 | ||
| NORM | 1.000012 | < R > | 8.384396 | < R2 > | 78.618874 | < 1/R > | .159248 | < 1/R**2 > | .138871 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.766848 | .28611608 |
| 2 | 2s | 1.608225 | -.62134032 |
| 3 | 3s | 3.613412 | -.64279344 |
| 4 | 4s | 1.992234 | .32648121 |
| 5 | 5s | .726243 | .65912050 |
| 6 | 5s | 7.969272 | -.01571992 |
| 7 | 4s | .619452 | -.71597443 |
| 8 | 3s | 20.350193 | -.00013923 |
| 9 | 3s | .378391 | .09365756 |
| 10 | 4s | .359733 | -.02301257 |
| 11 | 5s | 82.854475 | .00000151 |
| ORB.ENERGY,a.u. | -3.424100 | ||
| NORM | 1.000000 | < R > | 1.062022 | < R2 > | 1.481038 | < 1/R > | 1.381491 | < 1/R**2 > | 7.707159 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.278363 | .89030579 |
| 2 | 1s | 10.003704 | .11433302 |
| 3 | 2s | 5.434444 | .01921617 |
| 4 | 3s | 6.866176 | -.02278457 |
| 5 | 4s | 10.824297 | .00347318 |
| 6 | 5s | 17.505377 | .00110408 |
| 7 | 5s | 2.991552 | .00064070 |
| 8 | 3s | 27.244310 | -.00011039 |
| 9 | 4s | 1.638343 | -.00025935 |
| ORB.ENERGY,a.u. | -17.948000 |
| NORM | 1.000000 | < R > | .226947 | < R2 > | .069246 | < 1/R > | 6.678126 | < 1/R**2 > | 90.361657 |
Total Energy= -48.68804826 a.u.
Kinetic Energy= 48.68472230 a.u.
Potential Energy= -97.37277056 a.u.
Virial Ratio = -2.00006832