(1s 2 2s 2 2p 2 5p 1 ) 2 D F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 5p- electron | |
| 1 | 2p | 1.822050 | .16547876 |
| 2 | 3p | .966193 | -1.45223814 |
| 3 | 4p | .735665 | 3.52372396 |
| 4 | 5p | .649191 | -2.91944420 |
| 5 | 2p | 4.767451 | .03369344 |
| 6 | 5p | 1.707310 | .04377729 |
| 7 | 3p | 8.461937 | -.00179761 |
| ORB.ENERGY,a.u. | -.211040 | ||
| NORM | 1.000003 | < R > | 10.376112 | < R2 > | 120.927463 | < 1/R > | .131621 | < 1/R**2 > | .051131 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.749528 | .79120487 |
| 2 | 2p | 4.935567 | .19732184 |
| 3 | 2p | 10.931036 | .00665773 |
| 4 | 4p | .686176 | -.07954672 |
| 5 | 5p | .890636 | .09420609 |
| 6 | 4p | 5.288088 | .03290563 |
| 7 | 3p | 7.034703 | .00974245 |
| 8 | 5p | 19.097421 | -.00031644 |
| 9 | 3p | .433634 | -.01639167 |
| ORB.ENERGY,a.u. | -3.037600 | ||
| NORM | 1.000000 | < R > | .817463 | < R2 > | .847181 | < 1/R > | 1.580323 | < 1/R**2 > | 3.462576 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.464097 | .33150731 |
| 2 | 2s | 3.415031 | -.84965261 |
| 3 | 3s | 3.111432 | -.25802944 |
| 4 | 4s | 10.472014 | .01582383 |
| 5 | 3s | 12.068891 | .01102891 |
| 6 | 5s | 3.224568 | -.01423161 |
| 7 | 5s | 33.680305 | -.00013104 |
| 8 | 2s | 42.682600 | .00003062 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .880798 | < R2 > | .917017 | < 1/R > | 1.636474 | < 1/R**2 > | 10.903996 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.277826 | .68789951 |
| 2 | 1s | 12.188817 | .22286858 |
| 3 | 1s | 2.663491 | .00551742 |
| 4 | 2s | 9.053720 | .12786640 |
| 5 | 3s | 10.139306 | -.02745092 |
| 6 | 4s | 17.041501 | .00335689 |
| 7 | 5s | 4.766822 | -.00126043 |
| 8 | 5s | 53.101864 | -.00003209 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175232 | < R2 > | .041300 | < 1/R > | 8.645239 | < 1/R**2 > | 151.223835 |
Total Energy= -95.53280252 a.u.
Kinetic Energy= 95.53062525 a.u.
Potential Energy= -191.06342778 a.u.
Virial Ratio = -2.00002279