(1s 2 2s 2 2p 4 4p 1 ) 2 P F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 1.962966 | .05033610 |
| 2 | 3p | .485024 | -.72393943 |
| 3 | 4p | .322550 | 1.26666226 |
| 4 | 5p | 1.137160 | -.05115321 |
| 5 | 2p | 6.000413 | .00441332 |
| 6 | 5p | 4.421064 | -.00681647 |
| 7 | 5p | .291341 | .01935933 |
| ORB.ENERGY,a.u. | -.047057 | ||
| NORM | 1.000000 | < R > | 15.115838 | < R2 > | 258.938448 | < 1/R > | .085329 | < 1/R**2 > | .013711 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | .296306 | -.01946761 |
| 2 | 2p | 2.268972 | .70253319 |
| 3 | 2p | 4.052139 | .28974154 |
| 4 | 2p | 8.692983 | .02013642 |
| 5 | 3p | .286389 | .02377651 |
| 6 | 4p | 2.048974 | .05737186 |
| 7 | 5p | 10.581916 | .00662408 |
| 8 | 4p | 13.932360 | .00192051 |
| 9 | 3p | 21.975429 | .00013988 |
| ORB.ENERGY,a.u. | -1.096000 | ||
| NORM | 1.000000 | < R > | .969987 | < R2 > | 1.215984 | < 1/R > | 1.378381 | < 1/R**2 > | 2.733563 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.492211 | .30235465 |
| 2 | 2s | 3.280640 | -.83663628 |
| 3 | 3s | 2.607750 | -.31942015 |
| 4 | 4s | 4.805677 | .03043644 |
| 5 | 3s | 8.729654 | .02666332 |
| 6 | 5s | 19.314828 | .00072328 |
| 7 | 5s | 2.271089 | -.00523046 |
| 8 | 2s | 50.567293 | .00000736 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .961096 | < R2 > | 1.109043 | < 1/R > | 1.503074 | < 1/R**2 > | 9.293018 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.234476 | .87154607 |
| 2 | 1s | 12.237591 | .12091769 |
| 3 | 1s | 8.890809 | .00332989 |
| 4 | 2s | 5.993330 | .01819689 |
| 5 | 3s | 8.206310 | -.00755126 |
| 6 | 4s | 17.095144 | .00293449 |
| 7 | 5s | 52.208850 | -.00004123 |
| 8 | 5s | 4.118160 | .00043260 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175671 | < R2 > | .041564 | < 1/R > | 8.632411 | < 1/R**2 > | 150.886249 |
Total Energy= -98.87939070 a.u.
Kinetic Energy= 98.87881012 a.u.
Potential Energy= -197.75820082 a.u.
Virial Ratio = -2.00000587