(1s 2 2s 2 2p 1 3p 1 ) 3 S P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3031.
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 | 2p | 4.832682 | .66717040 |
| 2 | 3p | 3.482747 | -1.35072217 |
| 3 | 2p | 9.942484 | .07024731 |
| 4 | 4p | 12.561348 | .01379657 |
| 5 | 5p | 3.141195 | .01936028 |
| 6 | 4p | 2.661204 | -.01188780 |
| 7 | 5p | 38.879970 | -.00009678 |
| ORB.ENERGY,a.u. | -6.208800 | ||
| NORM | 1.000000 | < R > | 1.120804 | < R2 > | 1.437434 | < 1/R > | 1.214391 | < 1/R**2 > | 3.041507 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.200666 | 1.07961632 |
| 2 | 3p | 7.486627 | -.10042905 |
| 3 | 2p | 14.231999 | .01554628 |
| 4 | 5p | 14.163690 | .00363098 |
| 5 | 4p | 28.960316 | -.00097512 |
| 6 | 5p | 6.090734 | .00926350 |
| 7 | 5p | 88.904849 | -.00002170 |
| ORB.ENERGY,a.u. | -16.575000 | ||
| NORM | 1.000000 | < R > | .395499 | < R2 > | .189536 | < 1/R > | 3.197624 | < 1/R**2 > | 13.836581 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.954435 | .37115058 |
| 2 | 2s | 5.650158 | -.80754476 |
| 3 | 3s | 8.185574 | -.28127101 |
| 4 | 4s | 28.238973 | .00130221 |
| 5 | 5s | 15.881729 | -.01061127 |
| 6 | 5s | 6.513454 | .01399087 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .458408 | < R2 > | .246079 | < 1/R > | 3.198985 | < 1/R**2 > | 41.422732 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.160828 | .93131330 |
| 2 | 1s | 21.943422 | .06829827 |
| 3 | 2s | 13.125838 | .01920600 |
| 4 | 3s | 16.288936 | -.01648178 |
| 5 | 4s | 76.775617 | -.00005751 |
| 6 | 5s | 34.281777 | .00087668 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .103013 | < R2 > | .014217 | < 1/R > | 14.643899 | < 1/R**2 > | 431.806188 |
Total Energy= -282.28340497 a.u.
Kinetic Energy= 282.29858986 a.u.
Potential Energy= -564.58199483 a.u.
Virial Ratio = -1.99994621