(1s 2 2s 2 2p 2 4p 1 ) 2 S F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2041.
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 | 3.444101 | .18518938 |
| 2 | 3p | 1.013000 | -1.29452473 |
| 3 | 4p | .870321 | 1.98600610 |
| 4 | 5p | 1.953326 | -.11501896 |
| 5 | 2p | 10.236267 | .00214097 |
| 6 | 5p | .931908 | -.12760202 |
| 7 | 5p | 4.142336 | .03135715 |
| ORB.ENERGY,a.u. | -.361920 | ||
| NORM | .999999 | < R > | 5.962022 | < R2 > | 40.152910 | < 1/R > | .232024 | < 1/R**2 > | .157130 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.766693 | .79925656 |
| 2 | 2p | 4.575618 | .21553340 |
| 3 | 2p | 9.935038 | .01071906 |
| 4 | 3p | 2.089709 | .01279532 |
| 5 | 4p | 3.253253 | -.00591827 |
| 6 | 5p | 1.164359 | -.00066548 |
| 7 | 5p | 12.093162 | .00130087 |
| 8 | 4p | 30.846863 | .00003572 |
| ORB.ENERGY,a.u. | -2.959400 | ||
| NORM | 1.000000 | < R > | .818438 | < R2 > | .824530 | < 1/R > | 1.576348 | < 1/R**2 > | 3.448325 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.434694 | .33321518 |
| 2 | 2s | 3.414951 | -.85260373 |
| 3 | 3s | 3.078884 | -.25925489 |
| 4 | 4s | 10.573664 | .01671443 |
| 5 | 3s | 12.131217 | .00800679 |
| 6 | 5s | 3.150070 | -.01081320 |
| 7 | 5s | 20.852361 | .00081780 |
| 8 | 3s | .707422 | .00021981 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .881580 | < R2 > | .918851 | < 1/R > | 1.635126 | < 1/R**2 > | 10.887480 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.276901 | .68788194 |
| 2 | 1s | 12.189507 | .22287148 |
| 3 | 1s | 2.760816 | .00556835 |
| 4 | 2s | 9.051124 | .12791931 |
| 5 | 3s | 10.151777 | -.02777413 |
| 6 | 4s | 16.995383 | .00349068 |
| 7 | 5s | 4.833080 | -.00115226 |
| 8 | 5s | 54.942514 | -.00002673 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175239 | < R2 > | .041304 | < 1/R > | 8.644994 | < 1/R**2 > | 151.217185 |
Total Energy= -95.66873439 a.u.
Kinetic Energy= 95.68149350 a.u.
Potential Energy= -191.35022788 a.u.
Virial Ratio = -1.99986665