(1s 2 2s 2 2p 2 5d 1 ) 2 P Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2152.
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 | 5d- electron | |
| 1 | 3d | 1.036514 | 1.50720528 |
| 2 | 4d | .929006 | -3.44657664 |
| 3 | 5d | .781880 | 2.65910693 |
| 4 | 3d | 3.669421 | .02962050 |
| 5 | 4d | .491242 | -.14490874 |
| 6 | 5d | 3.197806 | .02274940 |
| 7 | 5d | .482463 | .04852130 |
| 8 | 4d | 25.050126 | .00001289 |
| ORB.ENERGY,a.u. | -.331460 | ||
| NORM | .999999 | < R > | 8.286611 | < R2 > | 78.087330 | < 1/R > | .170237 | < 1/R**2 > | .062551 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.257464 | .82004191 |
| 2 | 2p | 5.297036 | .19837767 |
| 3 | 2p | 11.200985 | .00955775 |
| 4 | 3p | 1.872154 | .00654145 |
| 5 | 4p | 3.994847 | -.00545182 |
| 6 | 5p | 21.800644 | -.00035219 |
| 7 | 5p | 2.075306 | -.00245087 |
| 8 | 4p | 12.266966 | .00104066 |
| ORB.ENERGY,a.u. | -4.444100 | ||
| NORM | 1.000000 | < R > | .700301 | < R2 > | .601229 | < 1/R > | 1.833318 | < 1/R**2 > | 4.636666 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.184899 | .35214862 |
| 2 | 2s | 3.942565 | -.84205402 |
| 3 | 3s | 3.641270 | -.28015134 |
| 4 | 4s | 11.822534 | .01487905 |
| 5 | 3s | 13.230596 | .00784767 |
| 6 | 5s | 3.495211 | -.00969698 |
| 7 | 5s | 23.819966 | .00068246 |
| 8 | 3s | 2.202005 | .00176620 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767144 | < R2 > | .693882 | < 1/R > | 1.885920 | < 1/R**2 > | 14.481007 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.709771 | .61344128 |
| 2 | 1s | 13.272083 | .30146658 |
| 3 | 1s | 5.784469 | .00696181 |
| 4 | 2s | 10.367729 | .13443875 |
| 5 | 3s | 10.773060 | -.04339666 |
| 6 | 4s | 18.416577 | .00290019 |
| 7 | 5s | 61.067924 | -.00003964 |
| 8 | 5s | 5.771624 | .00027262 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .156991 | < R2 > | .033125 | < 1/R > | 9.641369 | < 1/R**2 > | 187.882288 |
Total Energy= -120.87442155 a.u.
Kinetic Energy= 120.87503353 a.u.
Potential Energy= -241.74945508 a.u.
Virial Ratio = -1.99999494