(1s 2 2s 2 2p 1 4p 1 ) 1 P S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 4p- electron | |
| 1 | 2p | 7.140610 | .32900537 |
| 2 | 3p | 3.136339 | -.79677811 |
| 3 | 5p | 3.182486 | 1.30562502 |
| 4 | 4p | 4.522349 | -.42867769 |
| 5 | 5p | 9.215462 | .03325649 |
| 6 | 4p | 22.161600 | -.00273730 |
| 7 | 5p | 2.792299 | .28782642 |
| 8 | 5p | 48.628464 | -.00028307 |
| 9 | 4p | 73.460378 | -.00006147 |
| ORB.ENERGY,a.u. | -4.100700 | ||
| NORM | 1.000000 | < R > | 1.932815 | < R2 > | 4.227555 | < 1/R > | .735399 | < 1/R**2 > | 1.497634 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.675616 | 1.08033154 |
| 2 | 3p | 8.291731 | -.09456804 |
| 3 | 2p | 15.388669 | .01409593 |
| 4 | 5p | 17.122849 | .00237680 |
| 5 | 4p | 31.417361 | -.00071466 |
| 6 | 5p | 6.133011 | .00230336 |
| 7 | 5p | 95.721068 | -.00001531 |
| ORB.ENERGY,a.u. | -20.098000 | ||
| NORM | 1.000000 | < R > | .367300 | < R2 > | .163222 | < 1/R > | 3.439032 | < 1/R**2 > | 15.989380 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.759211 | .37898041 |
| 2 | 2s | 6.112962 | -.81179040 |
| 3 | 3s | 8.827424 | -.28404927 |
| 4 | 4s | 29.634429 | .00141474 |
| 5 | 5s | 17.002792 | -.00922761 |
| 6 | 5s | 6.741433 | .01643340 |
| 7 | 4s | 3.037391 | .00026416 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .424561 | < R2 > | .210869 | < 1/R > | 3.458814 | < 1/R**2 > | 48.374688 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.174449 | .93583463 |
| 2 | 1s | 23.919340 | .06149173 |
| 3 | 2s | 14.366906 | .02510798 |
| 4 | 3s | 23.374179 | -.00882257 |
| 5 | 4s | 19.212503 | -.01224262 |
| 6 | 5s | 42.031310 | .00069523 |
| 7 | 3s | 74.987033 | -.00002840 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096376 | < R2 > | .012440 | < 1/R > | 15.645676 | < 1/R**2 > | 492.665851 |
Total Energy= -320.44160055 a.u.
Kinetic Energy= 320.48092666 a.u.
Potential Energy= -640.92252720 a.u.
Virial Ratio = -1.99987729