(1s 2 2s 2 2p 2 3s 1 ) 2 P S 9+
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 | 12.751369 | .18104449 |
| 2 | 2s | 4.556643 | -1.04967087 |
| 3 | 3s | 3.729199 | 1.64572535 |
| 4 | 4s | 13.561759 | -.02531585 |
| 5 | 5s | 10.176839 | -.02841301 |
| 6 | 4s | 57.966588 | -.00005847 |
| 7 | 5s | 3.038375 | .00067110 |
| ORB.ENERGY,a.u. | -6.805100 | ||
| NORM | 1.000000 | < R > | 1.122257 | < R2 > | 1.418090 | < 1/R > | 1.243840 | < 1/R**2 > | 9.064910 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.306840 | 1.13490079 |
| 2 | 3p | 7.494533 | -.15424433 |
| 3 | 2p | 15.700631 | .01881306 |
| 4 | 4p | 19.691363 | .00586671 |
| 5 | 5p | 29.192000 | -.00128985 |
| 6 | 5p | 7.677873 | -.00191296 |
| 7 | 4p | 81.426815 | .00001949 |
| ORB.ENERGY,a.u. | -17.419000 | ||
| NORM | 1.000000 | < R > | .379509 | < R2 > | .174817 | < 1/R > | 3.341949 | < 1/R**2 > | 15.174170 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.459332 | .43251922 |
| 2 | 2s | 7.084651 | -.87303471 |
| 3 | 3s | 7.043477 | -.29436859 |
| 4 | 4s | 27.530810 | .00206735 |
| 5 | 3s | 14.110370 | .02429073 |
| 6 | 5s | 7.578400 | -.02083810 |
| 7 | 4s | 3.642138 | .01269901 |
| 8 | 3s | 2.816676 | -.00483479 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .430682 | < R2 > | .216868 | < 1/R > | 3.402158 | < 1/R**2 > | 46.914586 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.184187 | .90898372 |
| 2 | 1s | 21.728004 | .08539720 |
| 3 | 2s | 11.938235 | .02010732 |
| 4 | 3s | 14.813123 | -.01018555 |
| 5 | 5s | 39.435344 | .00087698 |
| 6 | 5s | 4.785716 | -.00091093 |
| 7 | 3s | 67.102747 | -.00005272 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096592 | < R2 > | .012508 | < 1/R > | 15.623324 | < 1/R**2 > | 491.569335 |
Total Energy= -341.77716621 a.u.
Kinetic Energy= 341.71574404 a.u.
Potential Energy= -683.49291026 a.u.
Virial Ratio = -2.00017975