(1s 1 3p 1 ) 3 P Li +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | .894587 | .84608947 |
| 2 | 3p | .636152 | -1.59897339 |
| 3 | 2p | 2.577311 | .02004042 |
| 4 | 4p | .563948 | .17921639 |
| 5 | 3p | .820443 | .06174209 |
| 6 | 5p | 9.851010 | .00079904 |
| 7 | 5p | .545424 | -.03683436 |
| 8 | 3p | 15.935702 | .00060670 |
| 9 | 4p | 23.581685 | -.00031520 |
| 10 | 5p | 66.423285 | -.00001468 |
| ORB.ENERGY,a.u. | -.230150 | ||
| NORM | 1.000000 | < R > | 6.026761 | < R2 > | 41.936095 | < 1/R > | .233860 | < 1/R**2 > | .115099 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.920333 | .75963744 |
| 2 | 1s | 3.102231 | .25549176 |
| 3 | 2s | 3.330977 | -.01350862 |
| 4 | 3s | 3.714892 | -.00358519 |
| 5 | 4s | 6.964981 | .00019879 |
| 6 | 5s | 1.126551 | -.00043485 |
| ORB.ENERGY,a.u. | -4.230200 |
| NORM | 1.000000 | < R > | .501399 | < R2 > | .335525 | < 1/R > | 2.994297 | < 1/R**2 > | 17.945614 |
Total Energy= -4.72652948 a.u.
Kinetic Energy= 4.72960658 a.u.
Potential Energy= -9.45613606 a.u.
Virial Ratio = -1.99934940