(1s 2 2s 2 2p 3 3p 1 ) 3 P Na 3+
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 | 1.548444 | 1.06369984 |
| 2 | 3p | 1.669176 | -1.84020773 |
| 3 | 2p | 6.301764 | .07497084 |
| 4 | 4p | 3.204433 | -.10076907 |
| 5 | 5p | 9.546504 | .00431429 |
| 6 | 5p | 1.491607 | -.10342385 |
| 7 | 4p | 20.856285 | -.00035628 |
| 8 | 4p | 1.293320 | .07190349 |
| 9 | 2p | 47.053281 | .00000480 |
| ORB.ENERGY,a.u. | -1.168600 | ||
| NORM | 1.000000 | < R > | 2.408149 | < R2 > | 6.523912 | < 1/R > | .514093 | < 1/R**2 > | .495134 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.836820 | 1.43449774 |
| 2 | 3p | 5.083174 | -.54984879 |
| 3 | 4p | 6.392312 | .10888888 |
| 4 | 5p | 2.110033 | -.02217954 |
| 5 | 4p | 16.076498 | -.00290895 |
| 6 | 3p | 17.730058 | -.00115451 |
| 7 | 4p | 3.385290 | .01350378 |
| 8 | 5p | 1.439075 | -.00153376 |
| ORB.ENERGY,a.u. | -4.450800 | ||
| NORM | 1.000000 | < R > | .637581 | < R2 > | .497486 | < 1/R > | 2.012468 | < 1/R**2 > | 5.593997 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.981392 | .35102293 |
| 2 | 2s | 4.336731 | -.84447244 |
| 3 | 3s | 3.811638 | -.28697926 |
| 4 | 4s | 17.827910 | .00253025 |
| 5 | 3s | 10.645010 | .01890213 |
| 6 | 5s | 3.130915 | -.00304635 |
| ORB.ENERGY,a.u. | -4.555500 | ||
| NORM | 1.000000 | < R > | .705483 | < R2 > | .588709 | < 1/R > | 2.055172 | < 1/R**2 > | 17.274404 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.164427 | .90297010 |
| 2 | 1s | 15.521753 | .09698172 |
| 3 | 2s | 8.904015 | .01721779 |
| 4 | 3s | 12.705368 | -.01503099 |
| 5 | 4s | 20.238545 | .00391588 |
| 6 | 5s | 40.007778 | .00009083 |
| 7 | 5s | 7.617954 | .00087417 |
| ORB.ENERGY,a.u. | -42.494000 |
| NORM | 1.000000 | < R > | .142478 | < R2 > | .027294 | < 1/R > | 10.624146 | < 1/R**2 > | 228.076513 |
Total Energy= -155.04948772 a.u.
Kinetic Energy= 155.02363658 a.u.
Potential Energy= -310.07312430 a.u.
Virial Ratio = -2.00016676