(1s 2 3p 1 ) 2 P Ne 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 2p | 2.619294 | 1.72003788 |
| 2 | 3p | 2.697580 | -2.33692772 |
| 3 | 2p | 5.094183 | .01839203 |
| 4 | 3p | 4.337873 | -.02296038 |
| 5 | 2p | 11.451812 | .00611142 |
| 6 | 5p | 2.318637 | -.00154599 |
| 7 | 3p | 30.408488 | .00003578 |
| ORB.ENERGY,a.u. | -3.612200 | ||
| NORM | 1.000001 | < R > | 1.536456 | < R2 > | 2.721918 | < 1/R > | .909409 | < 1/R**2 > | 1.690603 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.296641 | .88591761 |
| 2 | 1s | 13.511066 | .10967970 |
| 3 | 2s | 7.745200 | .01473652 |
| 4 | 3s | 8.486895 | -.00873728 |
| 5 | 4s | 18.343540 | .00371371 |
| 6 | 5s | 76.001543 | -.00000772 |
| 7 | 5s | 3.774787 | -.00008734 |
| ORB.ENERGY,a.u. | -42.960000 |
| NORM | 1.000000 | < R > | .156000 | < R2 > | .032618 | < 1/R > | 9.681618 | < 1/R**2 > | 189.131040 |
Total Energy= -97.47158999 a.u.
Kinetic Energy= 97.47155950 a.u.
Potential Energy= -194.94314949 a.u.
Virial Ratio = -2.00000031