(1s 2 2s 2 2p 4 3s 1 ) 4 P F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4130.
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 | 3s- electron | |
| 1 | 1s | 8.679731 | .04659212 |
| 2 | 2s | 2.588597 | -.19613513 |
| 3 | 3s | .895923 | .80080438 |
| 4 | 4s | 6.421846 | -.02438468 |
| 5 | 5s | .825194 | .24406661 |
| 6 | 5s | 22.954140 | -.00018290 |
| 7 | 4s | .564509 | .03668069 |
| 8 | 3s | 14.589173 | .00562698 |
| 9 | 4s | 20.111366 | -.00097834 |
| 10 | 2s | 26.789641 | .00039347 |
| ORB.ENERGY,a.u. | -.166460 | ||
| NORM | 1.000000 | < R > | 4.606372 | < R2 > | 24.665182 | < 1/R > | .280766 | < 1/R**2 > | .395137 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.205578 | .66914366 |
| 2 | 2p | 3.916713 | .31973726 |
| 3 | 2p | 9.720053 | .01670925 |
| 4 | 3p | 1.447757 | .06702568 |
| 5 | 4p | 9.383535 | .01462713 |
| 6 | 4p | 1.010858 | -.05233017 |
| 7 | 3p | 12.277106 | .00353028 |
| 8 | 5p | 1.107234 | .03951107 |
| ORB.ENERGY,a.u. | -.919010 | ||
| NORM | 1.000000 | < R > | .974452 | < R2 > | 1.210437 | < 1/R > | 1.374168 | < 1/R**2 > | 2.720961 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.464497 | .30364438 |
| 2 | 2s | 3.289321 | -.83859561 |
| 3 | 3s | 2.591279 | -.31811113 |
| 4 | 4s | 4.939833 | .02877614 |
| 5 | 3s | 8.610160 | .02697998 |
| 6 | 5s | 18.401659 | .00087820 |
| 7 | 5s | 1.910794 | -.00725546 |
| 8 | 4s | .819862 | -.00693227 |
| 9 | 3s | 30.575572 | -.00006998 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .964439 | < R2 > | 1.121474 | < 1/R > | 1.500500 | < 1/R**2 > | 9.269629 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.237025 | .87424540 |
| 2 | 1s | 12.243097 | .12119299 |
| 3 | 1s | .434725 | .00031985 |
| 4 | 2s | 6.301100 | .01760767 |
| 5 | 3s | 8.772614 | -.00704167 |
| 6 | 4s | 17.048960 | .00316929 |
| 7 | 5s | 52.781651 | -.00003362 |
| 8 | 5s | 5.209644 | .00061249 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175662 | < R2 > | .041560 | < 1/R > | 8.632638 | < 1/R**2 > | 150.891800 |
Total Energy= -98.99413062 a.u.
Kinetic Energy= 98.99803964 a.u.
Potential Energy= -197.99217026 a.u.
Virial Ratio = -1.99996051