(1s 2 2s 1 5p 1 ) 3 P Na 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 2p | 1.220222 | 5.05684417 |
| 2 | 3p | 2.059197 | -5.73442516 |
| 3 | 4p | 1.569710 | 6.45257959 |
| 4 | 5p | 1.596762 | -7.07797532 |
| 5 | 2p | 6.940732 | .03538979 |
| 6 | 5p | 9.404925 | .00674127 |
| 7 | 4p | 20.881591 | -.00060359 |
| 8 | 5p | 64.946257 | -.00001566 |
| 9 | 4p | .557043 | -.00061390 |
| ORB.ENERGY,a.u. | -1.324600 | ||
| NORM | 1.000000 | < R > | 4.409963 | < R2 > | 21.891279 | < 1/R > | .331688 | < 1/R**2 > | .384947 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.164142 | .39512221 |
| 2 | 2s | 4.584015 | -.77560315 |
| 3 | 3s | 5.319650 | -.30422194 |
| 4 | 5s | 9.484389 | -.03626587 |
| 5 | 4s | 19.818237 | .00813567 |
| 6 | 5s | 26.305802 | -.00215701 |
| 7 | 4s | 3.899780 | .00146810 |
| 8 | 3s | 46.834544 | .00006519 |
| 9 | 5s | 1.013211 | -.00009444 |
| ORB.ENERGY,a.u. | -10.705000 | ||
| NORM | 1.000000 | < R > | .617729 | < R2 > | .445018 | < 1/R > | 2.371175 | < 1/R**2 > | 22.691828 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.451730 | .94286932 |
| 2 | 1s | 17.145690 | .04909440 |
| 3 | 2s | 12.391158 | .01225454 |
| 4 | 3s | 8.230480 | .00245238 |
| 5 | 4s | 43.187558 | -.00065287 |
| 6 | 5s | 57.326561 | .00024161 |
| 7 | 5s | 5.430923 | .00016945 |
| ORB.ENERGY,a.u. | -49.899000 |
| NORM | 1.000000 | < R > | .141432 | < R2 > | .026811 | < 1/R > | 10.675182 | < 1/R**2 > | 229.794904 |
Total Energy= -126.55520015 a.u.
Kinetic Energy= 126.55692283 a.u.
Potential Energy= -253.11212298 a.u.
Virial Ratio = -1.99998639