(1s 2 2s 2 2p 1 4s 1 ) 3 P N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 6.282762 | .05102217 |
| 2 | 2s | 1.303062 | -.53005361 |
| 3 | 3s | 1.233423 | .90591248 |
| 4 | 4s | .631073 | -1.42745780 |
| 5 | 5s | 5.208253 | -.02297158 |
| 6 | 5s | 1.129471 | .49852182 |
| 7 | 4s | 6.426185 | -.01585705 |
| 8 | 5s | 27.057565 | -.00006228 |
| ORB.ENERGY,a.u. | -.188560 | ||
| NORM | 1.000000 | < R > | 8.019981 | < R2 > | 72.302344 | < 1/R > | .171068 | < 1/R**2 > | .216596 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.065147 | .82724970 |
| 2 | 2p | 3.481244 | .18002539 |
| 3 | 2p | 7.797181 | .01014554 |
| 4 | 3p | .813278 | -.00180193 |
| 5 | 4p | 1.835074 | .02077407 |
| 6 | 4p | 12.365998 | -.00056138 |
| ORB.ENERGY,a.u. | -1.556600 | ||
| NORM | 1.000000 | < R > | 1.123742 | < R2 > | 1.554198 | < 1/R > | 1.148650 | < 1/R**2 > | 1.834774 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.418030 | .26804421 |
| 2 | 2s | 2.011437 | -.76194348 |
| 3 | 3s | 3.413888 | -.27519658 |
| 4 | 4s | 1.312805 | -.00540956 |
| 5 | 5s | 7.057714 | -.02583700 |
| 6 | 5s | .724723 | .00436832 |
| 7 | 4s | 13.667604 | .00180075 |
| 8 | 4s | 1.942382 | .02566091 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.180624 | < R2 > | 1.649152 | < 1/R > | 1.210004 | < 1/R**2 > | 5.917701 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.252887 | .70949034 |
| 2 | 1s | 9.330182 | .22669835 |
| 3 | 1s | 3.235553 | .00593787 |
| 4 | 2s | 7.122175 | .08467485 |
| 5 | 3s | 7.632024 | -.01462448 |
| 6 | 4s | 13.058970 | .00493178 |
| 7 | 5s | 50.812589 | -.00001610 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227667 | < R2 > | .069768 | < 1/R > | 6.663909 | < 1/R**2 > | 90.055921 |
Total Energy= -53.00320662 a.u.
Kinetic Energy= 53.00429500 a.u.
Potential Energy= -106.00750162 a.u.
Virial Ratio = -1.99997947