(1s 2 2s 2 2p 4 4p 1 ) 4 P Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4141.
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 | 4p- electron | |
| 1 | 2p | 4.898123 | .13132084 |
| 2 | 3p | 1.206106 | .98237527 |
| 3 | 4p | 1.774134 | -.94516456 |
| 4 | 5p | .996797 | 1.07174835 |
| 5 | 5p | 3.334561 | -.11920192 |
| 6 | 3p | 8.591273 | -.00665236 |
| 7 | 4p | 1.304592 | -.63807720 |
| 8 | 3p | .630863 | .09300899 |
| 9 | 4p | 22.579591 | -.00009660 |
| ORB.ENERGY,a.u. | -.379030 | ||
| NORM | 1.000000 | < R > | 5.668409 | < R2 > | 36.352389 | < 1/R > | .244960 | < 1/R**2 > | .184431 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.215801 | 1.31485737 |
| 2 | 3p | 3.884571 | -.39075864 |
| 3 | 2p | 8.430911 | .06799594 |
| 4 | 4p | 9.566903 | .01898813 |
| 5 | 5p | 53.635881 | .00002112 |
| 6 | 5p | 1.011311 | -.00199211 |
| 7 | 4p | 87.035605 | .00000325 |
| 8 | 4p | 2.230726 | .00487568 |
| ORB.ENERGY,a.u. | -3.322000 | ||
| NORM | 1.000000 | < R > | .690194 | < R2 > | .593712 | < 1/R > | 1.894484 | < 1/R**2 > | 5.046861 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.078527 | .33448367 |
| 2 | 2s | 4.230702 | -.82828911 |
| 3 | 3s | 3.577276 | -.29379183 |
| 4 | 4s | 13.967464 | .01070097 |
| 5 | 3s | 15.394886 | .00458795 |
| 6 | 5s | 28.775762 | .00033706 |
| 7 | 5s | 3.476070 | -.00275254 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .728098 | < R2 > | .630006 | < 1/R > | 1.991006 | < 1/R**2 > | 16.277764 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243316 | .91124371 |
| 2 | 1s | 15.433688 | .08736792 |
| 3 | 2s | 5.652398 | .01839032 |
| 4 | 3s | 7.084595 | -.01932966 |
| 5 | 4s | 9.032506 | .00954191 |
| 6 | 5s | 26.159787 | .00113469 |
| 7 | 4s | 61.419037 | -.00004934 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142643 | < R2 > | .027374 | < 1/R > | 10.616768 | < 1/R**2 > | 227.836314 |
Total Energy= -157.79345694 a.u.
Kinetic Energy= 157.80274038 a.u.
Potential Energy= -315.59619731 a.u.
Virial Ratio = -1.99994117