(1s 2 2s 1 5p 1 ) 1 P P 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 5p- electron | |
| 1 | 2p | 1.808038 | 5.47665217 |
| 2 | 3p | 2.995035 | -6.40652110 |
| 3 | 4p | 2.318119 | 7.43964686 |
| 4 | 5p | 2.373980 | -7.85424586 |
| 5 | 2p | 10.380402 | .02213040 |
| 6 | 5p | 12.790029 | .00043816 |
| 7 | 4p | 29.812737 | -.00039817 |
| 8 | 5p | 1.112541 | -.00129697 |
| 9 | 5p | 93.058883 | -.00000922 |
| ORB.ENERGY,a.u. | -2.942200 | ||
| NORM | .999998 | < R > | 2.978975 | < R2 > | 9.991676 | < 1/R > | .490847 | < 1/R**2 > | .830490 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.308560 | .42381278 |
| 2 | 2s | 6.447496 | -.80887617 |
| 3 | 3s | 7.820832 | -.30195434 |
| 4 | 5s | 12.906992 | -.02158000 |
| 5 | 4s | 25.382099 | .00779473 |
| 6 | 5s | 32.704191 | -.00206710 |
| 7 | 3s | 54.830156 | .00008717 |
| 8 | 5s | 1.973400 | .00162179 |
| 9 | 4s | 1.678022 | -.00160238 |
| ORB.ENERGY,a.u. | -22.015000 | ||
| NORM | 1.000000 | < R > | .437102 | < R2 > | .222814 | < 1/R > | 3.374377 | < 1/R**2 > | 45.886017 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.421313 | .93867401 |
| 2 | 1s | 22.848960 | .04898783 |
| 3 | 2s | 17.400011 | .01652847 |
| 4 | 3s | 10.905900 | .00172155 |
| 5 | 4s | 60.545132 | -.00045511 |
| 6 | 5s | 80.960249 | .00016636 |
| 7 | 5s | 7.115592 | .00010559 |
| ORB.ENERGY,a.u. | -97.975000 |
| NORM | 1.000000 | < R > | .102712 | < R2 > | .014121 | < 1/R > | 14.673713 | < 1/R**2 > | 433.222406 |
Total Energy= -241.08796142 a.u.
Kinetic Energy= 241.08013977 a.u.
Potential Energy= -482.16810118 a.u.
Virial Ratio = -2.00003244