(1s 2 2s 2 2p 4 3d 1 ) 4 D Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4232.
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 | 3d- electron | |
| 1 | 3d | .704212 | .94000134 |
| 2 | 3d | 2.816680 | .03219359 |
| 3 | 4d | 1.763379 | .03210765 |
| 4 | 4d | .553602 | .05415140 |
| 5 | 5d | 4.704097 | -.00338667 |
| 6 | 5d | .549315 | -.01835147 |
| 7 | 4d | 17.251700 | .00003665 |
| ORB.ENERGY,a.u. | -.230910 | ||
| NORM | 1.000000 | < R > | 4.926981 | < R2 > | 28.066563 | < 1/R > | .241828 | < 1/R**2 > | .073172 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.633890 | .66100736 |
| 2 | 2p | 4.460515 | .38266894 |
| 3 | 2p | 11.037662 | .01118764 |
| 4 | 3p | 1.972795 | .03568081 |
| 5 | 4p | 6.567833 | -.03060160 |
| 6 | 4p | 2.087665 | -.00740202 |
| 7 | 5p | 22.968303 | -.00017149 |
| ORB.ENERGY,a.u. | -1.974100 | ||
| NORM | 1.000000 | < R > | .805680 | < R2 > | .815453 | < 1/R > | 1.637377 | < 1/R**2 > | 3.806106 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.313092 | .31821154 |
| 2 | 2s | 3.746917 | -.82168488 |
| 3 | 3s | 3.033472 | -.30427796 |
| 4 | 4s | 13.060737 | .01362370 |
| 5 | 3s | 16.699979 | .00274472 |
| 6 | 5s | 25.836030 | .00049033 |
| 7 | 5s | 2.008214 | -.00777869 |
| 8 | 3s | 1.576315 | .01104505 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828442 | < R2 > | .819054 | < 1/R > | 1.746477 | < 1/R**2 > | 12.536017 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241593 | .89834869 |
| 2 | 1s | 13.943677 | .09904984 |
| 3 | 1s | 4.065039 | -.00008730 |
| 4 | 2s | 6.902690 | .01561925 |
| 5 | 3s | 10.767881 | -.00728078 |
| 6 | 4s | 18.621530 | .00283044 |
| 7 | 5s | 60.747413 | -.00003564 |
| 8 | 5s | 5.226071 | .00053272 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157453 | < R2 > | .033371 | < 1/R > | 9.624224 | < 1/R**2 > | 187.375175 |
Total Energy= -126.59929556 a.u.
Kinetic Energy= 126.60303518 a.u.
Potential Energy= -253.20233074 a.u.
Virial Ratio = -1.99997046