(1s 2 2s 2 2p 4 3s 1 ) 2 P Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2130.
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 | 3s- electron | |
| 1 | 1s | 9.949093 | .07896475 |
| 2 | 2s | 2.905951 | -.35276295 |
| 3 | 3s | 1.501919 | 1.09339858 |
| 4 | 4s | 7.612500 | -.04089189 |
| 5 | 5s | 1.405969 | .02594176 |
| 6 | 5s | 13.144146 | -.00931275 |
| 7 | 4s | 16.830713 | -.00316002 |
| 8 | 5s | 52.292718 | -.00000505 |
| 9 | 2s | 31.191732 | .00010414 |
| ORB.ENERGY,a.u. | -.917170 | ||
| NORM | 1.000000 | < R > | 2.522570 | < R2 > | 7.181694 | < 1/R > | .509650 | < 1/R**2 > | 1.320476 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.152479 | 1.36166453 |
| 2 | 3p | 3.808543 | -.43342482 |
| 3 | 2p | 8.397380 | .06988386 |
| 4 | 4p | 9.613810 | .01910101 |
| 5 | 5p | 50.041486 | .00002315 |
| 6 | 5p | 2.457809 | .03200178 |
| 7 | 4p | 76.719897 | .00000465 |
| 8 | 4p | 2.194860 | -.03709240 |
| ORB.ENERGY,a.u. | -3.030100 | ||
| NORM | 1.000000 | < R > | .691891 | < R2 > | .596767 | < 1/R > | 1.890532 | < 1/R**2 > | 5.028092 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.020999 | .28980197 |
| 2 | 2s | 3.381165 | -.76798279 |
| 3 | 3s | 6.031876 | -.24158611 |
| 4 | 4s | 4.604439 | -.04231466 |
| 5 | 5s | 12.497405 | -.01272751 |
| 6 | 4s | 1.658229 | .01196056 |
| 7 | 2s | 11.400832 | .00161738 |
| 8 | 3s | 42.533616 | -.00013094 |
| 9 | 4s | 70.171398 | .00003399 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .723085 | < R2 > | .619337 | < 1/R > | 2.001485 | < 1/R**2 > | 16.425471 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.246020 | .91083284 |
| 2 | 1s | 15.431935 | .08738890 |
| 3 | 2s | 5.868363 | .01822007 |
| 4 | 3s | 7.318923 | -.01797975 |
| 5 | 4s | 9.194122 | .00885218 |
| 6 | 5s | 26.343260 | .00116404 |
| 7 | 4s | 62.295465 | -.00004372 |
| 8 | 5s | 2.149422 | -.00062418 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142653 | < R2 > | .027381 | < 1/R > | 10.616361 | < 1/R**2 > | 227.822293 |
Total Energy= -158.35778501 a.u.
Kinetic Energy= 158.33988477 a.u.
Potential Energy= -316.69766978 a.u.
Virial Ratio = -2.00011305