(1s 2 2s 2 2p 4 3p 1 ) 2 S S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2031.
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 | 4.972715 | .42121801 |
| 2 | 3p | 3.023185 | -.95322305 |
| 3 | 4p | 3.350348 | -.20215572 |
| 4 | 2p | 9.640377 | .09512740 |
| 5 | 5p | 15.035198 | .00370686 |
| 6 | 5p | 38.983953 | -.00034143 |
| 7 | 4p | 59.221884 | -.00005894 |
| 8 | 5p | 2.822835 | -.00913063 |
| ORB.ENERGY,a.u. | -4.350200 | ||
| NORM | 1.000000 | < R > | 1.276830 | < R2 > | 1.861460 | < 1/R > | 1.053689 | < 1/R**2 > | 2.361483 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.568653 | 1.15588507 |
| 2 | 3p | 6.343337 | -.23230640 |
| 3 | 2p | 12.138161 | .07251122 |
| 4 | 4p | 14.221401 | .01197080 |
| 5 | 5p | 3.145153 | -.00036668 |
| 6 | 5p | 40.639623 | -.00013271 |
| ORB.ENERGY,a.u. | -12.816000 | ||
| NORM | 1.000000 | < R > | .405273 | < R2 > | .201190 | < 1/R > | 3.162526 | < 1/R**2 > | 13.748340 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.749479 | .39603115 |
| 2 | 2s | 6.771329 | -.85054644 |
| 3 | 3s | 6.224532 | -.29908493 |
| 4 | 4s | 16.681068 | .00867202 |
| 5 | 3s | 20.137612 | .00674467 |
| 6 | 5s | 30.817255 | .00087916 |
| 7 | 5s | 5.641292 | -.00643308 |
| 8 | 3s | 46.871909 | -.00011094 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .453873 | < R2 > | .242670 | < 1/R > | 3.223670 | < 1/R**2 > | 42.489200 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.161873 | .91887399 |
| 2 | 1s | 22.078109 | .07779399 |
| 3 | 2s | 9.761923 | .01983558 |
| 4 | 3s | 11.808967 | -.01995419 |
| 5 | 4s | 14.221766 | .00920711 |
| 6 | 5s | 39.358512 | .00067954 |
| 7 | 4s | 82.750420 | -.00003806 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096906 | < R2 > | .012607 | < 1/R > | 15.590942 | < 1/R**2 > | 489.993942 |
Total Energy= -369.65224846 a.u.
Kinetic Energy= 369.60848060 a.u.
Potential Energy= -739.26072907 a.u.
Virial Ratio = -2.00011842