(1s 2 2s 2 2p 2 3p 1 ) 2 P S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 4.550893 | .75904512 |
| 2 | 3p | 3.530863 | -1.42084190 |
| 3 | 2p | 12.005122 | .03618532 |
| 4 | 4p | 7.378089 | -.09078795 |
| 5 | 5p | 8.432989 | .03347423 |
| 6 | 5p | 21.105181 | .00169774 |
| ORB.ENERGY,a.u. | -6.215300 | ||
| NORM | 1.000000 | < R > | 1.137328 | < R2 > | 1.456882 | < 1/R > | 1.126668 | < 1/R**2 > | 2.444257 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.383759 | 1.31125409 |
| 2 | 3p | 8.181948 | -.36298385 |
| 3 | 2p | 2.660409 | -.06868195 |
| 4 | 4p | 10.164925 | .08776183 |
| 5 | 5p | 20.359225 | .00342574 |
| 6 | 5p | 3.059649 | .00501155 |
| 7 | 3p | 18.827769 | -.00082356 |
| ORB.ENERGY,a.u. | -17.228000 | ||
| NORM | 1.000000 | < R > | .369928 | < R2 > | .164520 | < 1/R > | 3.399729 | < 1/R**2 > | 15.601437 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.652838 | .41914264 |
| 2 | 2s | 6.939820 | -.86216447 |
| 3 | 3s | 7.078474 | -.28366497 |
| 4 | 4s | 27.001282 | .00205764 |
| 5 | 3s | 14.845119 | .01678845 |
| 6 | 5s | 6.789097 | -.02150022 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .434768 | < R2 > | .221665 | < 1/R > | 3.372973 | < 1/R**2 > | 46.194319 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.108764 | .92727522 |
| 2 | 1s | 23.172103 | .07149446 |
| 3 | 2s | 14.161195 | .01948902 |
| 4 | 3s | 17.831636 | -.01555273 |
| 5 | 5s | 37.530926 | .00084292 |
| 6 | 4s | 85.915539 | -.00004187 |
| 7 | 5s | 13.065604 | .00041288 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096592 | < R2 > | .012507 | < 1/R > | 15.623049 | < 1/R**2 > | 491.556544 |
Total Energy= -341.26090387 a.u.
Kinetic Energy= 341.13829314 a.u.
Potential Energy= -682.39919701 a.u.
Virial Ratio = -2.00035942