(1s 2 2s 2 2p 4 4p 1 ) 4 D F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4241.
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 | 2.602500 | .08149398 |
| 2 | 3p | .527440 | -.60856427 |
| 3 | 4p | .320833 | 1.32197973 |
| 4 | 5p | 2.369045 | .02334664 |
| 5 | 2p | 7.295826 | .00381843 |
| 6 | 5p | 5.537136 | -.00671454 |
| 7 | 5p | .320008 | -.11988376 |
| 8 | 2p | .651716 | -.10241070 |
| ORB.ENERGY,a.u. | -.048785 | ||
| NORM | .999998 | < R > | 14.491366 | < R2 > | 239.000161 | < 1/R > | .092985 | < 1/R**2 > | .023778 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.209814 | .67307344 |
| 2 | 2p | 3.941900 | .31872960 |
| 3 | 2p | 9.743279 | .01617233 |
| 4 | 3p | 1.562049 | .05568932 |
| 5 | 4p | 9.493349 | .01362966 |
| 6 | 4p | .860635 | -.04186006 |
| 7 | 3p | 12.582694 | .00306924 |
| 8 | 5p | .977080 | .03589393 |
| ORB.ENERGY,a.u. | -1.097800 | ||
| NORM | 1.000000 | < R > | .970202 | < R2 > | 1.196346 | < 1/R > | 1.377545 | < 1/R**2 > | 2.731260 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.474659 | .30342480 |
| 2 | 2s | 3.283909 | -.83759709 |
| 3 | 3s | 2.606325 | -.31913615 |
| 4 | 4s | 4.851768 | .03021305 |
| 5 | 3s | 8.648800 | .02628120 |
| 6 | 5s | 18.310733 | .00086658 |
| 7 | 5s | 2.270348 | -.00533874 |
| 8 | 3s | 30.126181 | -.00007454 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .961116 | < R2 > | 1.109139 | < 1/R > | 1.503083 | < 1/R**2 > | 9.293253 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.234485 | .87162329 |
| 2 | 1s | 12.237788 | .12092935 |
| 3 | 1s | 8.881170 | .00324141 |
| 4 | 2s | 5.998476 | .01818102 |
| 5 | 3s | 8.216787 | -.00754043 |
| 6 | 4s | 17.096811 | .00293609 |
| 7 | 5s | 52.151633 | -.00004125 |
| 8 | 5s | 4.136029 | .00043658 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175671 | < R2 > | .041564 | < 1/R > | 8.632410 | < 1/R**2 > | 150.886213 |
Total Energy= -98.88000021 a.u.
Kinetic Energy= 98.88049962 a.u.
Potential Energy= -197.76049983 a.u.
Virial Ratio = -1.99999495