(1s 2 2s 2 2p 2 4s 1 ) 2 P Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2140.
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 | 4s- electron | |
| 1 | 1s | 8.733761 | .06566653 |
| 2 | 2s | 1.706399 | -.99685809 |
| 3 | 3s | 1.617506 | 2.34905214 |
| 4 | 4s | 1.165312 | -1.71731287 |
| 5 | 5s | 2.338202 | -.24494117 |
| 6 | 4s | 7.774454 | -.02466143 |
| 7 | 5s | 15.951576 | -.00166854 |
| 8 | 4s | 26.180414 | -.00028632 |
| ORB.ENERGY,a.u. | -.666850 | ||
| NORM | .999998 | < R > | 4.531777 | < R2 > | 23.046159 | < 1/R > | .302235 | < 1/R**2 > | .654755 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.240064 | .80520146 |
| 2 | 2p | 5.121656 | .22635925 |
| 3 | 2p | 11.881070 | .00786138 |
| 4 | 3p | 2.112921 | .00316861 |
| 5 | 4p | 4.145210 | -.00542914 |
| 6 | 4p | 7.301427 | -.01097338 |
| 7 | 5p | 22.213803 | -.00027577 |
| ORB.ENERGY,a.u. | -4.323200 | ||
| NORM | 1.000000 | < R > | .700977 | < R2 > | .602378 | < 1/R > | 1.831598 | < 1/R**2 > | 4.628489 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.134159 | .35615448 |
| 2 | 2s | 3.967729 | -.85101944 |
| 3 | 3s | 3.580421 | -.28552101 |
| 4 | 5s | 18.560006 | .00176763 |
| 5 | 4s | 11.001063 | .01725471 |
| 6 | 3s | 13.809212 | .00856217 |
| 7 | 5s | 1.317042 | -.01172515 |
| 8 | 4s | 1.673429 | .00636748 |
| 9 | 3s | 28.616863 | -.00020854 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .765655 | < R2 > | .691886 | < 1/R > | 1.889742 | < 1/R**2 > | 14.535362 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.707757 | .61564858 |
| 2 | 1s | 13.218873 | .30381048 |
| 3 | 2s | 10.296656 | .13434201 |
| 4 | 3s | 10.796352 | -.04346769 |
| 5 | 4s | 18.468454 | .00329656 |
| 6 | 1s | 3.844968 | .00248054 |
| 7 | 5s | 1.713725 | .00641715 |
| 8 | 5s | 66.181926 | -.00002473 |
| 9 | 5s | 1.794653 | -.00619596 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .157007 | < R2 > | .033138 | < 1/R > | 9.640783 | < 1/R**2 > | 187.864130 |
Total Energy= -121.21769884 a.u.
Kinetic Energy= 121.20997868 a.u.
Potential Energy= -242.42767752 a.u.
Virial Ratio = -2.00006369