(1s 1 3s 1 ) 1 S Na 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
| 1 | 1s | 4.879346 | .30285718 |
| 2 | 2s | 4.094517 | -1.02035574 |
| 3 | 3s | 3.300421 | 1.93822826 |
| 4 | 4s | 7.286089 | -.36349237 |
| 5 | 5s | 5.773281 | -.27793783 |
| 6 | 3s | 9.225129 | -.08798023 |
| 7 | 5s | 13.994075 | -.00872767 |
| 8 | 4s | 2.117304 | -.00113733 |
| 9 | 4s | 60.994449 | -.00001036 |
| ORB.ENERGY,a.u. | -5.793300 | ||
| NORM | 1.000000 | < R > | 1.315068 | < R2 > | 1.964003 | < 1/R > | 1.005084 | < 1/R**2 > | 2.925387 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.051095 | 1.00424450 |
| 2 | 2s | 2.871479 | .23208683 |
| 3 | 3s | 5.263571 | -.32909179 |
| 4 | 4s | 7.647150 | .06749353 |
| 5 | 5s | 6.798482 | .05893488 |
| 6 | 4s | 2.157094 | -.00102208 |
| 7 | 5s | 18.873301 | -.00020823 |
| ORB.ENERGY,a.u. | -59.571000 |
| NORM | 1.000000 | < R > | .140202 | < R2 > | .035428 | < 1/R > | 11.119462 | < 1/R**2 > | 246.652142 |
Total Energy= -66.21374581 a.u.
Kinetic Energy= 66.18758206 a.u.
Potential Energy= -132.40132787 a.u.
Virial Ratio = -2.00039530