(1s 2 2s 2 2p 2 3p 1 ) 4 D F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4231.
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 | 3p | 1.251727 | -1.09062803 |
| 2 | 2p | 2.416037 | .36734438 |
| 3 | 2p | 5.955809 | .05136660 |
| 4 | 4p | 7.180889 | .01522532 |
| 5 | 5p | 4.061430 | -.03147933 |
| 6 | 5p | 1.175453 | -.01089203 |
| ORB.ENERGY,a.u. | -.703180 | ||
| NORM | 1.000000 | < R > | 2.955910 | < R2 > | 9.970032 | < 1/R > | .445101 | < 1/R**2 > | .423396 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.777244 | .78533253 |
| 2 | 2p | 4.508204 | .22000962 |
| 3 | 2p | 9.682761 | .01215124 |
| 4 | 3p | 1.721756 | .02335952 |
| 5 | 4p | 1.481720 | -.00948534 |
| 6 | 5p | 18.933760 | -.00044647 |
| 7 | 5p | 1.461248 | .00482497 |
| 8 | 4p | 10.737521 | .00189364 |
| ORB.ENERGY,a.u. | -2.752700 | ||
| NORM | 1.000000 | < R > | .820764 | < R2 > | .831014 | < 1/R > | 1.573999 | < 1/R**2 > | 3.440735 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.462228 | .33049100 |
| 2 | 2s | 3.406148 | -.85372817 |
| 3 | 3s | 3.037964 | -.26150855 |
| 4 | 4s | 10.573613 | .01728503 |
| 5 | 3s | 12.550552 | .00988173 |
| 6 | 5s | 2.697803 | -.00716377 |
| 7 | 5s | 33.908415 | -.00015829 |
| 8 | 2s | 45.131260 | .00002804 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .884151 | < R2 > | .925028 | < 1/R > | 1.630798 | < 1/R**2 > | 10.834661 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.277746 | .68777290 |
| 2 | 1s | 12.188466 | .22284742 |
| 3 | 1s | 2.746228 | .00564864 |
| 4 | 2s | 9.053186 | .12781033 |
| 5 | 3s | 10.166298 | -.02747279 |
| 6 | 4s | 17.023683 | .00345892 |
| 7 | 5s | 4.781424 | -.00120026 |
| 8 | 5s | 54.437422 | -.00002743 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175265 | < R2 > | .041319 | < 1/R > | 8.644169 | < 1/R**2 > | 151.194879 |
Total Energy= -96.00005768 a.u.
Kinetic Energy= 96.02270108 a.u.
Potential Energy= -192.02275876 a.u.
Virial Ratio = -1.99976419