(1s 2 2s 2 2p 4 4p 1 ) 2 D F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2241.
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 | 2.542084 | .06382049 |
| 2 | 3p | .517462 | -.67247643 |
| 3 | 4p | .324855 | 1.23000203 |
| 4 | 5p | 1.300723 | -.04347442 |
| 5 | 2p | 6.642480 | .00489869 |
| 6 | 5p | 5.021646 | -.00806541 |
| ORB.ENERGY,a.u. | -.048118 | ||
| NORM | .999999 | < R > | 14.716243 | < R2 > | 246.199282 | < 1/R > | .090395 | < 1/R**2 > | .020461 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.203751 | .66494397 |
| 2 | 2p | 3.894727 | .32191328 |
| 3 | 2p | 10.040020 | .01588050 |
| 4 | 3p | 1.556419 | .06072886 |
| 5 | 4p | 9.228116 | .01624204 |
| 6 | 4p | 1.411845 | -.01312960 |
| 7 | 3p | 11.578440 | .00556530 |
| 8 | 5p | .346897 | .00184329 |
| 9 | 3p | 34.141709 | .00000939 |
| ORB.ENERGY,a.u. | -1.097100 | ||
| NORM | 1.000000 | < R > | .969785 | < R2 > | 1.195530 | < 1/R > | 1.377836 | < 1/R**2 > | 2.732063 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.460726 | .30427305 |
| 2 | 2s | 3.291975 | -.83999140 |
| 3 | 3s | 2.609257 | -.32068308 |
| 4 | 4s | 4.917811 | .03210365 |
| 5 | 3s | 8.548117 | .02779631 |
| 6 | 5s | 18.540792 | .00091388 |
| 7 | 5s | 2.291441 | -.00558871 |
| 8 | 3s | 31.750884 | -.00006085 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .961112 | < R2 > | 1.109114 | < 1/R > | 1.503077 | < 1/R**2 > | 9.293146 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.234537 | .87170293 |
| 2 | 1s | 12.237644 | .12093784 |
| 3 | 1s | 8.884698 | .00315071 |
| 4 | 2s | 5.998758 | .01818330 |
| 5 | 3s | 8.216386 | -.00753936 |
| 6 | 4s | 17.097702 | .00293546 |
| 7 | 5s | 52.144708 | -.00004131 |
| 8 | 5s | 4.138365 | .00043718 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175671 | < R2 > | .041564 | < 1/R > | 8.632409 | < 1/R**2 > | 150.886198 |
Total Energy= -98.88006133 a.u.
Kinetic Energy= 98.87983924 a.u.
Potential Energy= -197.75990057 a.u.
Virial Ratio = -2.00000225