(1s 2 2s 1 3s 1 ) 3 S C 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 5.137626 | .13104209 |
| 2 | 2s | 1.574661 | -.72652539 |
| 3 | 3s | 1.149011 | 1.46063255 |
| 4 | 4s | 3.162089 | -.08710858 |
| 5 | 5s | 5.555338 | -.02504744 |
| 6 | 4s | 11.636834 | .00122025 |
| 7 | 5s | 1.236560 | -.05259157 |
| 8 | 2s | 37.437250 | -.00000326 |
| ORB.ENERGY,a.u. | -.662250 | ||
| NORM | 1.000000 | < R > | 3.467211 | < R2 > | 13.531220 | < 1/R > | .393340 | < 1/R**2 > | .871138 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.113097 | .32505278 |
| 2 | 2s | 2.165129 | -.84755308 |
| 3 | 3s | 2.714651 | -.21782725 |
| 4 | 4s | 6.535515 | .01851904 |
| 5 | 3s | 6.873944 | .02502671 |
| 6 | 5s | 4.181024 | -.02100417 |
| 7 | 5s | 2.361041 | -.01504599 |
| 8 | 5s | 26.213546 | -.00012805 |
| 9 | 2s | 46.403123 | .00000730 |
| ORB.ENERGY,a.u. | -2.038900 | ||
| NORM | 1.000000 | < R > | 1.277295 | < R2 > | 1.905714 | < 1/R > | 1.121540 | < 1/R**2 > | 5.074195 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.278219 | .88033262 |
| 2 | 1s | 8.521682 | .12830273 |
| 3 | 2s | 3.541291 | .02336936 |
| 4 | 3s | 5.875923 | -.02554172 |
| 5 | 4s | 10.742019 | .00561376 |
| 6 | 5s | 5.245659 | -.00669979 |
| 7 | 5s | 39.777203 | -.00003848 |
| 8 | 5s | 1.423718 | -.00038154 |
| ORB.ENERGY,a.u. | -12.472000 |
| NORM | 1.000000 | < R > | .267476 | < R2 > | .096348 | < 1/R > | 5.677423 | < 1/R**2 > | 65.465523 |
Total Energy= -35.37704731 a.u.
Kinetic Energy= 35.38811498 a.u.
Potential Energy= -70.76516228 a.u.
Virial Ratio = -1.99968725