(1s 2 2s 2 2p 1 4p 1 ) 3 P Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4.512124 | .18256404 |
| 2 | 3p | 1.851363 | -.84634211 |
| 3 | 5p | 1.807363 | 1.23930072 |
| 4 | 4p | 2.720481 | -.27359053 |
| 5 | 5p | 5.443688 | .04232427 |
| 6 | 4p | 12.593913 | -.00389208 |
| 7 | 5p | 1.554683 | .27249135 |
| 8 | 5p | 28.425231 | -.00048231 |
| 9 | 4p | 44.082101 | -.00009178 |
| ORB.ENERGY,a.u. | -1.272000 | ||
| NORM | 1.000000 | < R > | 3.383201 | < R2 > | 12.910569 | < 1/R > | .379317 | < 1/R**2 > | .277616 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.643832 | .98890396 |
| 2 | 2p | 1.933581 | .33626725 |
| 3 | 3p | 1.124033 | .10018526 |
| 4 | 4p | 2.785416 | -.28693163 |
| 5 | 3p | 7.065751 | -.13123602 |
| 6 | 5p | 11.509805 | .01638930 |
| 7 | 5p | 1.604767 | .22196564 |
| 8 | 4p | 1.338552 | -.21148543 |
| 9 | 5p | 17.757736 | .00201257 |
| ORB.ENERGY,a.u. | -7.279600 | ||
| NORM | 1.000000 | < R > | .593174 | < R2 > | .513430 | < 1/R > | 2.214079 | < 1/R**2 > | 6.673456 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.717143 | .33556747 |
| 2 | 2s | 3.812406 | -.79410701 |
| 3 | 3s | 5.827670 | -.27533799 |
| 4 | 4s | 20.672344 | .00175111 |
| 5 | 5s | 11.429119 | -.01491588 |
| 6 | 5s | 4.317030 | .02052678 |
| 7 | 4s | 1.837648 | .00040677 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .658177 | < R2 > | .508077 | < 1/R > | 2.208739 | < 1/R**2 > | 19.768707 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.213290 | .92177284 |
| 2 | 1s | 16.006812 | .08099164 |
| 3 | 2s | 8.759443 | .01665148 |
| 4 | 3s | 11.376867 | -.01624084 |
| 5 | 4s | 54.395851 | -.00008339 |
| 6 | 5s | 25.215860 | .00103608 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141876 | < R2 > | .027010 | < 1/R > | 10.652211 | < 1/R**2 > | 229.002208 |
Total Energy= -143.71557485 a.u.
Kinetic Energy= 143.71788987 a.u.
Potential Energy= -287.43346471 a.u.
Virial Ratio = -1.99998389