(1s 2 2s 2 2p 1 3d 1 ) 3 D Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 1.745407 | .93812147 |
| 2 | 4d | 9.098228 | -.00096398 |
| 3 | 3d | 4.252367 | .03796348 |
| 4 | 4d | 1.613559 | .02725205 |
| 5 | 5d | 3.826387 | .02026294 |
| ORB.ENERGY,a.u. | -1.447600 | ||
| NORM | 1.000000 | < R > | 1.976715 | < R2 > | 4.502764 | < 1/R > | .597520 | < 1/R**2 > | .436526 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.611591 | .68743273 |
| 2 | 2p | 4.834363 | .26792497 |
| 3 | 2p | 11.119497 | .00956976 |
| 4 | 3p | 5.684644 | -.00818369 |
| 5 | 4p | 4.216127 | .06953323 |
| 6 | 4p | 18.464322 | -.00063858 |
| 7 | 5p | 2.163592 | -.00728173 |
| 8 | 3p | 1.688531 | .00984666 |
| ORB.ENERGY,a.u. | -5.180800 | ||
| NORM | 1.000000 | < R > | .663652 | < R2 > | .536206 | < 1/R > | 1.919343 | < 1/R**2 > | 5.036878 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.900775 | .32209443 |
| 2 | 2s | 3.350181 | -.79102236 |
| 3 | 3s | 5.289268 | -.27023927 |
| 4 | 4s | 17.975652 | .00252773 |
| 5 | 5s | 10.276240 | -.01443920 |
| 6 | 5s | 3.753784 | .02354799 |
| 7 | 4s | 37.061612 | .00005019 |
| 8 | 4s | 3.075253 | -.00736908 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .741723 | < R2 > | .646607 | < 1/R > | 1.954525 | < 1/R**2 > | 15.490358 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.269921 | .89193690 |
| 2 | 1s | 13.723620 | .10436296 |
| 3 | 1s | 2.306569 | .00012866 |
| 4 | 2s | 7.529490 | .01483140 |
| 5 | 3s | 9.802402 | -.00793573 |
| 6 | 4s | 18.072007 | .00342465 |
| 7 | 5s | 9.713662 | -.00040483 |
| 8 | 5s | 29.591869 | .00030516 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156624 | < R2 > | .032934 | < 1/R > | 9.655464 | < 1/R**2 > | 188.304248 |
Total Energy= -117.36115127 a.u.
Kinetic Energy= 117.35854005 a.u.
Potential Energy= -234.71969132 a.u.
Virial Ratio = -2.00002225