(1s 2 2s 2 2p 2 3p 1 ) 4 S Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4031.
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 | 3.063582 | .49626128 |
| 2 | 3p | 1.885802 | -1.28615107 |
| 3 | 2p | 9.756770 | .01294025 |
| 4 | 4p | 5.867108 | -.04383480 |
| 5 | 5p | 3.324572 | .05781326 |
| 6 | 5p | 2.241571 | .02180601 |
| 7 | 4p | 10.790016 | .00185981 |
| ORB.ENERGY,a.u. | -1.725100 | ||
| NORM | 1.000000 | < R > | 2.066790 | < R2 > | 4.778091 | < 1/R > | .589685 | < 1/R**2 > | .609653 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.866110 | 1.52023751 |
| 2 | 3p | 4.936139 | -.59470721 |
| 3 | 2p | 1.289117 | -.11345903 |
| 4 | 4p | 6.056946 | .12194646 |
| 5 | 5p | 23.938395 | -.00028559 |
| 6 | 3p | .866147 | .04799707 |
| 7 | 3p | 11.668858 | -.00797396 |
| 8 | 5p | 1.074420 | -.02669101 |
| ORB.ENERGY,a.u. | -5.637800 | ||
| NORM | 1.000000 | < R > | .597505 | < R2 > | .435117 | < 1/R > | 2.122833 | < 1/R**2 > | 6.143600 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.955822 | .36511891 |
| 2 | 2s | 4.428632 | -.84058484 |
| 3 | 3s | 4.278392 | -.27596822 |
| 4 | 4s | 17.705486 | .00270268 |
| 5 | 3s | 10.700851 | .01959863 |
| 6 | 5s | 4.147491 | -.02196356 |
| 7 | 4s | 1.842619 | -.00023037 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .682265 | < R2 > | .548281 | < 1/R > | 2.127391 | < 1/R**2 > | 18.430549 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.124408 | .89357009 |
| 2 | 1s | 15.370770 | .10685550 |
| 3 | 2s | 9.436113 | .01816016 |
| 4 | 3s | 11.612178 | -.01500837 |
| 5 | 5s | 26.426136 | .00125870 |
| 6 | 4s | 64.452157 | -.00003954 |
| 7 | 5s | 9.038211 | .00102868 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142226 | < R2 > | .027174 | < 1/R > | 10.635717 | < 1/R**2 > | 228.456445 |
Total Energy= -150.49904686 a.u.
Kinetic Energy= 150.49523640 a.u.
Potential Energy= -300.99428326 a.u.
Virial Ratio = -2.00002532