(1s 2 2s 2 2p 1 5p 1 ) 3 S F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 1.955589 | .18223920 |
| 2 | 3p | 1.147754 | -1.85766577 |
| 3 | 4p | .882661 | 5.71159247 |
| 4 | 5p | .870148 | -4.21824044 |
| 5 | 2p | 4.953800 | .06092708 |
| 6 | 5p | 4.792373 | .02437419 |
| 7 | 5p | .805567 | -.55355436 |
| 8 | 4p | 6.449168 | .02030076 |
| ORB.ENERGY,a.u. | -.360660 | ||
| NORM | .999997 | < R > | 8.092608 | < R2 > | 73.606225 | < 1/R > | .176094 | < 1/R**2 > | .110827 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.098112 | .84105225 |
| 2 | 2p | 4.747629 | .16642593 |
| 3 | 2p | 10.442274 | .00782094 |
| 4 | 3p | 5.427077 | -.01106537 |
| 5 | 4p | 3.159384 | .02103124 |
| 6 | 4p | 15.774845 | -.00066847 |
| ORB.ENERGY,a.u. | -4.014000 | ||
| NORM | 1.000000 | < R > | .765085 | < R2 > | .714299 | < 1/R > | 1.669316 | < 1/R**2 > | 3.822849 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.072174 | .30848434 |
| 2 | 2s | 2.913241 | -.78264483 |
| 3 | 3s | 4.682501 | -.26954709 |
| 4 | 4s | 16.050624 | .00278820 |
| 5 | 5s | 9.189017 | -.01594475 |
| 6 | 5s | 3.329057 | .02413307 |
| 7 | 4s | 32.167251 | .00006815 |
| 8 | 4s | 3.722114 | -.00838225 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .843736 | < R2 > | .836898 | < 1/R > | 1.710722 | < 1/R**2 > | 11.858138 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.430253 | .00128337 |
| 2 | 1s | 8.053064 | .85105165 |
| 3 | 1s | 12.613348 | .14431087 |
| 4 | 2s | 11.022561 | .02092690 |
| 5 | 3s | 9.825187 | -.01580645 |
| 6 | 4s | 15.762355 | .00481950 |
| 7 | 5s | 28.877361 | .00027562 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174839 | < R2 > | .041070 | < 1/R > | 8.657178 | < 1/R**2 > | 151.542459 |
Total Energy= -92.48687561 a.u.
Kinetic Energy= 92.48737456 a.u.
Potential Energy= -184.97425017 a.u.
Virial Ratio = -1.99999461