(1s 2 2s 2 2p 4 4p 1 ) 4 P F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4141.
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 | .674494 | -.11913875 |
| 2 | 2p | 2.623053 | .09104368 |
| 3 | 5p | .331136 | -.12342983 |
| 4 | 3p | .543900 | -.57385067 |
| 5 | 4p | .327317 | 1.31148967 |
| 6 | 5p | 2.405618 | .02393258 |
| 7 | 2p | 7.400160 | .00398304 |
| 8 | 5p | 5.569000 | -.00701091 |
| ORB.ENERGY,a.u. | -.049925 | ||
| NORM | .999998 | < R > | 14.159985 | < R2 > | 228.271609 | < 1/R > | .095987 | < 1/R**2 > | .027067 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.210339 | .66428173 |
| 2 | 2p | 3.903908 | .32053644 |
| 3 | 2p | 10.120536 | .01544608 |
| 4 | 3p | 1.613003 | .05807896 |
| 5 | 4p | 9.315053 | .01607938 |
| 6 | 4p | 1.275924 | -.01079526 |
| 7 | 3p | 11.771467 | .00529824 |
| 8 | 5p | .404456 | -.00174548 |
| 9 | 3p | .846862 | .00522870 |
| ORB.ENERGY,a.u. | -1.098900 | ||
| NORM | 1.000000 | < R > | .970600 | < R2 > | 1.198122 | < 1/R > | 1.377267 | < 1/R**2 > | 2.730448 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.465483 | .30398557 |
| 2 | 2s | 3.289290 | -.83913037 |
| 3 | 3s | 2.608577 | -.32015621 |
| 4 | 4s | 4.895090 | .03146023 |
| 5 | 3s | 8.579569 | .02727582 |
| 6 | 5s | 18.470461 | .00090271 |
| 7 | 5s | 2.280847 | -.00559619 |
| 8 | 3s | 31.290670 | -.00006446 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .961122 | < R2 > | 1.109167 | < 1/R > | 1.503085 | < 1/R**2 > | 9.293318 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.232407 | .87232950 |
| 2 | 1s | 12.230451 | .12116986 |
| 3 | 1s | 9.789976 | .00232736 |
| 4 | 2s | 5.978525 | .01825274 |
| 5 | 3s | 8.153677 | -.00762947 |
| 6 | 4s | 17.135459 | .00291564 |
| 7 | 5s | 51.607536 | -.00004195 |
| 8 | 5s | 4.100787 | .00042416 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175671 | < R2 > | .041564 | < 1/R > | 8.632413 | < 1/R**2 > | 150.886287 |
Total Energy= -98.87980639 a.u.
Kinetic Energy= 98.88163797 a.u.
Potential Energy= -197.76144436 a.u.
Virial Ratio = -1.99998148