(1s 2 2s 2 2p 1 5s 1 ) 1 P P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1150.
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 | 5s- electron | |
| 1 | 1s | 11.595420 | .08938041 |
| 2 | 2s | 3.373664 | -.99701712 |
| 3 | 3s | 2.753432 | 3.51653483 |
| 4 | 4s | 2.158138 | -7.57236908 |
| 5 | 5s | 2.104688 | 5.69660218 |
| 6 | 5s | 17.314173 | -.00363311 |
| 7 | 4s | 8.657936 | -.02496648 |
| ORB.ENERGY,a.u. | -2.204700 | ||
| NORM | .999999 | < R > | 3.412467 | < R2 > | 13.032412 | < 1/R > | .424891 | < 1/R**2 > | 1.763675 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.160813 | 1.08070822 |
| 2 | 3p | 7.554638 | -.09518076 |
| 3 | 2p | 14.975238 | .01464991 |
| 4 | 5p | 18.936263 | .00244563 |
| 5 | 4p | 31.334371 | -.00014562 |
| 6 | 5p | 5.654289 | .00199787 |
| 7 | 4p | 1.298874 | -.00004385 |
| ORB.ENERGY,a.u. | -17.208000 | ||
| NORM | 1.000000 | < R > | .396870 | < R2 > | .190645 | < 1/R > | 3.185057 | < 1/R**2 > | 13.729899 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.289735 | .35900814 |
| 2 | 2s | 5.211125 | -.83262540 |
| 3 | 3s | 8.455137 | -.31719222 |
| 4 | 4s | 5.696382 | .10366371 |
| 5 | 5s | 16.937999 | -.01062404 |
| 6 | 5s | 1.831564 | .02340742 |
| 7 | 4s | 1.624270 | -.02297079 |
| 8 | 3s | 17.720951 | -.00011198 |
| 9 | 5s | 38.757581 | .00034525 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .456167 | < R2 > | .243557 | < 1/R > | 3.215232 | < 1/R**2 > | 41.810953 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.163123 | .93039536 |
| 2 | 1s | 21.803034 | .06945443 |
| 3 | 2s | 12.722844 | .01922918 |
| 4 | 3s | 15.844859 | -.01679768 |
| 5 | 4s | 74.596266 | -.00006377 |
| 6 | 5s | 34.417124 | .00079061 |
| 7 | 5s | 2.476202 | .00131966 |
| 8 | 3s | .860068 | -.00597856 |
| 9 | 4s | .995815 | .00496186 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102974 | < R2 > | .014206 | < 1/R > | 14.647752 | < 1/R**2 > | 431.985777 |
Total Energy= -278.30455080 a.u.
Kinetic Energy= 278.29706282 a.u.
Potential Energy= -556.60161362 a.u.
Virial Ratio = -2.00002691