(1s 2 2s 1 5s 1 ) 1 S Ne 6+
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 | 4.468432 | .09900780 |
| 2 | 2s | 1.190595 | -5.21301722 |
| 3 | 3s | 1.654760 | 9.08177941 |
| 4 | 4s | 1.419572 | -11.08109138 |
| 5 | 5s | 1.449702 | 8.97296729 |
| 6 | 5s | 2.155719 | -.65198053 |
| 7 | 1s | 11.248038 | .01145156 |
| 8 | 5s | 20.105200 | .00069548 |
| 9 | 4s | 12.877919 | -.00207706 |
| 10 | 3s | .930442 | -.01167622 |
| ORB.ENERGY,a.u. | -1.052000 | ||
| NORM | .999989 | < R > | 4.991285 | < R2 > | 27.875859 | < 1/R > | .270969 | < 1/R**2 > | .446014 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.597750 | .31781327 |
| 2 | 2s | 2.399643 | -.73991367 |
| 3 | 3s | 5.591020 | -.62695821 |
| 4 | 4s | 3.105846 | .43095090 |
| 5 | 5s | 1.205393 | .76449997 |
| 6 | 5s | 12.319162 | -.00785566 |
| 7 | 4s | 1.020752 | -.82482693 |
| 8 | 3s | 22.466206 | -.00033187 |
| 9 | 3s | .569321 | .11128996 |
| 10 | 4s | .486773 | -.05190062 |
| 11 | 5s | .473848 | .01681946 |
| ORB.ENERGY,a.u. | -8.508200 | ||
| NORM | 1.000000 | < R > | .694705 | < R2 > | .629764 | < 1/R > | 2.144413 | < 1/R**2 > | 18.589016 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.192399 | .86925690 |
| 2 | 1s | 13.303720 | .13013656 |
| 3 | 2s | 5.675536 | .02838486 |
| 4 | 3s | 7.144160 | -.03347656 |
| 5 | 4s | 18.499877 | .00358135 |
| 6 | 5s | 9.578511 | .00662189 |
| 7 | 5s | 71.204899 | -.00001566 |
| 8 | 5s | .908635 | .00250652 |
| 9 | 4s | .747184 | -.00231520 |
| ORB.ENERGY,a.u. | -40.403000 |
| NORM | 1.000000 | < R > | .156132 | < R2 > | .032694 | < 1/R > | 9.676285 | < 1/R**2 > | 188.954496 |
Total Energy= -103.68881597 a.u.
Kinetic Energy= 103.68243356 a.u.
Potential Energy= -207.37124953 a.u.
Virial Ratio = -2.00006156