(1s 2 2s 2 2p 4 3p 1 ) 4 P F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4131.
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 | 3p- electron | |
| 1 | 3p | .687022 | -.74418949 |
| 2 | 2p | 2.226533 | .09901392 |
| 3 | 2p | 4.995408 | .03626709 |
| 4 | 4p | 5.306041 | .01270584 |
| 5 | 5p | .651087 | -.25460270 |
| 6 | 4p | .466268 | -.07194376 |
| 7 | 5p | 19.547398 | -.00017961 |
| 8 | 3p | 62.861200 | .00000451 |
| ORB.ENERGY,a.u. | -.108780 | ||
| NORM | 1.000000 | < R > | 6.084156 | < R2 > | 43.064826 | < 1/R > | .206799 | < 1/R**2 > | .087565 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.204275 | .63477309 |
| 2 | 2p | 3.791953 | .38786286 |
| 3 | 2p | 8.457303 | .01951373 |
| 4 | 3p | 1.738794 | .06299170 |
| 5 | 4p | 8.331448 | .00916632 |
| 6 | 4p | .650351 | .00310682 |
| 7 | 3p | 4.656891 | -.04369167 |
| 8 | 5p | 44.974899 | .00001973 |
| ORB.ENERGY,a.u. | -.976390 | ||
| NORM | 1.000000 | < R > | .972505 | < R2 > | 1.204670 | < 1/R > | 1.375845 | < 1/R**2 > | 2.726183 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.490820 | .30234466 |
| 2 | 2s | 3.283066 | -.83656804 |
| 3 | 3s | 2.599121 | -.31974262 |
| 4 | 4s | 4.848738 | .02931005 |
| 5 | 3s | 8.746156 | .02696953 |
| 6 | 5s | 19.465807 | .00064856 |
| 7 | 5s | 2.104197 | -.00458476 |
| 8 | 2s | 44.326258 | .00001095 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .961534 | < R2 > | 1.110334 | < 1/R > | 1.502564 | < 1/R**2 > | 9.287543 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.230891 | .87170618 |
| 2 | 1s | 12.229934 | .12113084 |
| 3 | 1s | 9.967906 | .00297224 |
| 4 | 2s | 6.017773 | .01816130 |
| 5 | 3s | 8.233828 | -.00756973 |
| 6 | 4s | 17.127820 | .00295097 |
| 7 | 5s | 51.603782 | -.00004100 |
| 8 | 5s | 4.236794 | .00045739 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175673 | < R2 > | .041565 | < 1/R > | 8.632352 | < 1/R**2 > | 150.884669 |
Total Energy= -98.93416041 a.u.
Kinetic Energy= 98.94049207 a.u.
Potential Energy= -197.87465248 a.u.
Virial Ratio = -1.99993601