(1s 2 2s 2 2p 1 4p 1 ) 3 P P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 6.097193 | .24907204 |
| 2 | 3p | 3.029785 | -.96765189 |
| 3 | 5p | 2.868899 | 1.38418053 |
| 4 | 4p | 4.260182 | -.24938946 |
| 5 | 5p | 7.723797 | .04468611 |
| 6 | 4p | 17.472143 | -.00351010 |
| 7 | 5p | 2.457394 | .15268444 |
| 8 | 5p | 38.762615 | -.00045367 |
| 9 | 4p | 59.113304 | -.00009095 |
| ORB.ENERGY,a.u. | -3.394000 | ||
| NORM | 1.000000 | < R > | 2.113370 | < R2 > | 5.041301 | < 1/R > | .609971 | < 1/R**2 > | .726067 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.395820 | 1.04582388 |
| 2 | 3p | 3.555604 | -.13844804 |
| 3 | 2p | 21.728941 | .00452201 |
| 4 | 5p | 7.116840 | .04813444 |
| 5 | 4p | 11.849835 | -.02318216 |
| 6 | 5p | 2.775252 | .15035473 |
| 7 | 3p | 26.241587 | .00072972 |
| ORB.ENERGY,a.u. | -17.016000 | ||
| NORM | 1.000000 | < R > | .403717 | < R2 > | .236467 | < 1/R > | 3.247777 | < 1/R**2 > | 14.272945 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.942289 | .37278752 |
| 2 | 2s | 5.665497 | -.80878979 |
| 3 | 3s | 8.206531 | -.28200744 |
| 4 | 4s | 27.858571 | .00148779 |
| 5 | 5s | 15.850503 | -.01014329 |
| 6 | 5s | 6.236984 | .01565568 |
| 7 | 4s | 2.769404 | .00028084 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .456965 | < R2 > | .244362 | < 1/R > | 3.208821 | < 1/R**2 > | 41.653156 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.163891 | .93101935 |
| 2 | 1s | 21.907879 | .06855520 |
| 3 | 2s | 13.087235 | .01921722 |
| 4 | 3s | 16.147503 | -.01648285 |
| 5 | 4s | 74.733035 | -.00006246 |
| 6 | 5s | 34.438119 | .00081329 |
| 7 | 5s | 8.883155 | .00003926 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102985 | < R2 > | .014208 | < 1/R > | 14.646647 | < 1/R**2 > | 431.934368 |
Total Energy= -279.48306601 a.u.
Kinetic Energy= 279.48705507 a.u.
Potential Energy= -558.97012109 a.u.
Virial Ratio = -1.99998573