(1s 2 2s 2 2p 2 4p 1 ) 4 S F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4041.
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 | 2.816733 | .14255947 |
| 2 | 3p | .948291 | -1.08607744 |
| 3 | 4p | .848439 | 1.90042064 |
| 4 | 5p | 2.063968 | -.16212497 |
| 5 | 2p | 6.785203 | .01008774 |
| 6 | 5p | 1.484921 | -.23147222 |
| 7 | 5p | 10.192292 | .00163514 |
| ORB.ENERGY,a.u. | -.348640 | ||
| NORM | .999999 | < R > | 6.199413 | < R2 > | 43.292223 | < 1/R > | .209723 | < 1/R**2 > | .097222 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.773067 | .80671738 |
| 2 | 2p | 4.825419 | .20602938 |
| 3 | 2p | 10.826809 | .00623210 |
| 4 | 3p | 1.156613 | -.04548719 |
| 5 | 4p | .702128 | .10684517 |
| 6 | 4p | 5.228093 | .01431756 |
| 7 | 3p | 1.884791 | .01601720 |
| 8 | 5p | 20.262491 | -.00026450 |
| 9 | 5p | .748486 | -.05753140 |
| ORB.ENERGY,a.u. | -2.946100 | ||
| NORM | 1.000000 | < R > | .816669 | < R2 > | .852993 | < 1/R > | 1.583968 | < 1/R**2 > | 3.475222 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.464252 | .33126081 |
| 2 | 2s | 3.413731 | -.84841374 |
| 3 | 3s | 3.123421 | -.25702775 |
| 4 | 4s | 10.269349 | .01357261 |
| 5 | 3s | 11.409774 | .01298152 |
| 6 | 5s | 3.218867 | -.01687615 |
| 7 | 5s | 34.038298 | -.00011266 |
| 8 | 2s | 42.944534 | .00002741 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .881442 | < R2 > | .918503 | < 1/R > | 1.635319 | < 1/R**2 > | 10.889632 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.281389 | .68759312 |
| 2 | 1s | 12.187688 | .22269567 |
| 3 | 1s | 2.904744 | .00580494 |
| 4 | 2s | 9.062961 | .12759510 |
| 5 | 3s | 10.189700 | -.02742197 |
| 6 | 4s | 16.952323 | .00368629 |
| 7 | 5s | 4.960716 | -.00103761 |
| 8 | 5s | 58.466776 | -.00001963 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175239 | < R2 > | .041304 | < 1/R > | 8.645019 | < 1/R**2 > | 151.217907 |
Total Energy= -95.66842468 a.u.
Kinetic Energy= 95.66821537 a.u.
Potential Energy= -191.33664005 a.u.
Virial Ratio = -2.00000219