(1s 2 2s 2 2p 2 5p 1 ) 2 S F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2051.
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 | 2.481423 | .14219317 |
| 2 | 3p | 1.038461 | -1.12937325 |
| 3 | 4p | .765061 | 3.00395331 |
| 4 | 5p | .663445 | -2.62941287 |
| 5 | 2p | 5.287848 | .02986018 |
| 6 | 5p | 7.672606 | .00355433 |
| 7 | 3p | 11.412209 | -.00058003 |
| ORB.ENERGY,a.u. | -.218740 | ||
| NORM | 1.000000 | < R > | 10.014536 | < R2 > | 112.692432 | < 1/R > | .141450 | < 1/R**2 > | .073898 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.765109 | .81973250 |
| 2 | 2p | 4.686149 | .20632448 |
| 3 | 2p | 10.196568 | .00885251 |
| 4 | 3p | 1.352680 | .01673291 |
| 5 | 4p | 3.297510 | -.01047249 |
| 6 | 5p | 21.903527 | -.00024035 |
| 7 | 5p | 1.706949 | -.01038424 |
| ORB.ENERGY,a.u. | -3.045300 | ||
| NORM | 1.000000 | < R > | .817768 | < R2 > | .822968 | < 1/R > | 1.577283 | < 1/R**2 > | 3.451764 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.433103 | .33358304 |
| 2 | 2s | 3.416770 | -.85274795 |
| 3 | 3s | 3.074901 | -.26041231 |
| 4 | 4s | 10.646122 | .01683837 |
| 5 | 3s | 12.203861 | .00776112 |
| 6 | 5s | 3.186573 | -.00896653 |
| 7 | 5s | 21.206671 | .00076020 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .880843 | < R2 > | .917129 | < 1/R > | 1.636412 | < 1/R**2 > | 10.903318 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.277822 | .68790210 |
| 2 | 1s | 12.188827 | .22286701 |
| 3 | 1s | 2.663350 | .00551755 |
| 4 | 2s | 9.053664 | .12786705 |
| 5 | 3s | 10.139071 | -.02745210 |
| 6 | 4s | 17.040516 | .00335643 |
| 7 | 5s | 4.769261 | -.00126259 |
| 8 | 5s | 53.115843 | -.00003210 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175232 | < R2 > | .041300 | < 1/R > | 8.645237 | < 1/R**2 > | 151.223779 |
Total Energy= -95.53264335 a.u.
Kinetic Energy= 95.53831731 a.u.
Potential Energy= -191.07096066 a.u.
Virial Ratio = -1.99994061