(1s 2 2s 1 5s 1 ) 3 S N 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5.678025 | .07025888 |
| 2 | 2s | .860209 | -2.98681637 |
| 3 | 3s | 1.183614 | 4.59622262 |
| 4 | 4s | .926841 | -4.38384877 |
| 5 | 5s | .836151 | 3.68265560 |
| 6 | 4s | 4.307954 | -.03388008 |
| 7 | 5s | 13.461085 | .00098666 |
| 8 | 2s | 15.513045 | -.00015880 |
| 9 | 4s | .578568 | -.07773731 |
| 10 | 3s | .322256 | .00479638 |
| ORB.ENERGY,a.u. | -.362600 | ||
| NORM | .999998 | < R > | 8.297067 | < R2 > | 76.998872 | < 1/R > | .172728 | < 1/R**2 > | .284032 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.829062 | .35450074 |
| 2 | 2s | 2.681822 | -.86245341 |
| 3 | 3s | 3.160206 | -.24202821 |
| 4 | 4s | 7.825093 | .02883196 |
| 5 | 3s | 8.911959 | .01448280 |
| 6 | 5s | 5.265698 | -.00689614 |
| 7 | 4s | 2.480732 | -.00861885 |
| 8 | 5s | 16.292451 | .00097987 |
| 9 | 3s | 1.313561 | .00045215 |
| ORB.ENERGY,a.u. | -3.428700 | ||
| NORM | 1.000000 | < R > | 1.052580 | < R2 > | 1.292735 | < 1/R > | 1.369861 | < 1/R**2 > | 7.573541 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.271696 | .89413962 |
| 2 | 1s | 10.052887 | .11229474 |
| 3 | 2s | 5.029076 | .02030646 |
| 4 | 3s | 7.415132 | -.02193034 |
| 5 | 4s | 12.769282 | .00456257 |
| 6 | 5s | 7.222200 | -.00486701 |
| 7 | 5s | 44.541741 | -.00003737 |
| 8 | 5s | 3.376222 | .00026952 |
| ORB.ENERGY,a.u. | -17.948000 |
| NORM | 1.000000 | < R > | .226961 | < R2 > | .069257 | < 1/R > | 6.677881 | < 1/R**2 > | 90.356719 |
Total Energy= -48.68719717 a.u.
Kinetic Energy= 48.68935201 a.u.
Potential Energy= -97.37654918 a.u.
Virial Ratio = -1.99995574