(1s 2 2s 2 2p 5 4s 1 ) 1 P Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1140.
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 | 4s- electron | |
| 1 | 1s | 10.746870 | .02966961 |
| 2 | 2s | 1.925884 | -.17128967 |
| 3 | 3s | 1.215513 | .96160104 |
| 4 | 4s | .708378 | -1.23383785 |
| 5 | 5s | 1.877303 | -.15086361 |
| 6 | 4s | 6.400667 | -.04312709 |
| 7 | 5s | 11.671054 | -.01620991 |
| 8 | 4s | 15.541588 | -.00686626 |
| 9 | 5s | 39.511435 | -.00012270 |
| 10 | 2s | 47.757518 | .00002940 |
| ORB.ENERGY,a.u. | -.221490 | ||
| NORM | .999999 | < R > | 6.827209 | < R2 > | 52.562051 | < 1/R > | .195438 | < 1/R**2 > | .246521 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.837285 | 1.40897744 |
| 2 | 3p | 3.442793 | -.51400738 |
| 3 | 2p | 7.761241 | .10049361 |
| 4 | 4p | 8.804692 | .02751605 |
| 5 | 5p | 2.140793 | .03007674 |
| 6 | 4p | 1.888933 | -.03285251 |
| 7 | 5p | 25.881104 | -.00027074 |
| 8 | 4p | 16.591827 | .00059454 |
| ORB.ENERGY,a.u. | -2.363100 | ||
| NORM | 1.000000 | < R > | .739217 | < R2 > | .690466 | < 1/R > | 1.795865 | < 1/R**2 > | 4.605400 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.703666 | .29310288 |
| 2 | 2s | 3.518727 | -.83413802 |
| 3 | 3s | 5.895585 | -.14414581 |
| 4 | 4s | 3.497282 | -.08872294 |
| 5 | 5s | 11.864276 | -.01388104 |
| 6 | 5s | .800318 | -.00780000 |
| 7 | 3s | .579749 | .00374581 |
| 8 | 4s | 43.228748 | -.00022554 |
| 9 | 2s | 120.927661 | -.00000359 |
| 10 | 3s | 68.693599 | -.00005351 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .752378 | < R2 > | .677362 | < 1/R > | 1.928438 | < 1/R**2 > | 15.335795 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229913 | .91340082 |
| 2 | 1s | 15.501357 | .08633789 |
| 3 | 2s | 5.562232 | .01449565 |
| 4 | 3s | 7.306062 | -.01696745 |
| 5 | 4s | 9.325205 | .01070503 |
| 6 | 5s | 26.062509 | .00105353 |
| 7 | 4s | 58.259398 | -.00005542 |
| 8 | 5s | .623904 | .00017946 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142774 | < R2 > | .027441 | < 1/R > | 10.611015 | < 1/R**2 > | 227.650151 |
Total Energy= -160.22127910 a.u.
Kinetic Energy= 160.21871077 a.u.
Potential Energy= -320.43998987 a.u.
Virial Ratio = -2.00001603