(1s 2 2s 1 4d 1 ) 3 D Na 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 4d- electron | |
| 1 | 3d | 2.323313 | 1.31531488 |
| 2 | 4d | 1.983699 | -1.81910566 |
| 3 | 5d | 1.674988 | .01014756 |
| 4 | 3d | 5.274573 | .01985823 |
| 5 | 4d | 10.088959 | -.00156412 |
| ORB.ENERGY,a.u. | -2.034900 | ||
| NORM | 1.000001 | < R > | 2.574100 | < R2 > | 7.577549 | < 1/R > | .512210 | < 1/R**2 > | .425639 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.149201 | .39547717 |
| 2 | 2s | 4.587668 | -.77873422 |
| 3 | 3s | 5.321748 | -.30504114 |
| 4 | 5s | 9.415926 | -.03248324 |
| 5 | 4s | 19.188606 | .00936417 |
| 6 | 5s | 25.201928 | -.00247976 |
| 7 | 4s | 2.350664 | .00020225 |
| 8 | 3s | 43.001494 | .00008605 |
| ORB.ENERGY,a.u. | -10.517000 | ||
| NORM | 1.000000 | < R > | .618446 | < R2 > | .446089 | < 1/R > | 2.367859 | < 1/R**2 > | 22.627516 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.452168 | .94308862 |
| 2 | 1s | 17.176658 | .04887086 |
| 3 | 2s | 12.483698 | .01226615 |
| 4 | 3s | 8.201042 | .00241665 |
| 5 | 4s | 43.062724 | -.00066236 |
| 6 | 5s | 57.136975 | .00024548 |
| 7 | 5s | 5.656153 | .00019330 |
| ORB.ENERGY,a.u. | -49.899000 |
| NORM | 1.000000 | < R > | .141415 | < R2 > | .026804 | < 1/R > | 10.676126 | < 1/R**2 > | 229.827738 |
Total Energy= -127.33624401 a.u.
Kinetic Energy= 127.26745192 a.u.
Potential Energy= -254.60369593 a.u.
Virial Ratio = -2.00054053