(1s 2 2s 1 4p 1 ) 1 P Ne 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 4p- electron | |
| 1 | 2p | 2.738390 | .93111481 |
| 2 | 3p | 2.295677 | -1.99614302 |
| 3 | 4p | 1.751672 | 2.34247640 |
| 4 | 5p | 2.454164 | -.65124032 |
| 5 | 4p | 6.647427 | -.03376598 |
| 6 | 2p | 12.663061 | .00318526 |
| ORB.ENERGY,a.u. | -1.594300 | ||
| NORM | 1.000001 | < R > | 3.153184 | < R2 > | 11.279162 | < 1/R > | .458277 | < 1/R**2 > | .591165 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.188004 | .39778979 |
| 2 | 2s | 4.089432 | -.86994596 |
| 3 | 3s | 5.223049 | -.25073552 |
| 4 | 4s | 10.704138 | .02712252 |
| 5 | 3s | 12.435380 | .01455506 |
| 6 | 5s | 5.595553 | -.02504638 |
| 7 | 4s | 3.365942 | -.00239176 |
| 8 | 5s | 21.687446 | .00090024 |
| 9 | 3s | 1.442398 | -.00064116 |
| 10 | 2s | 56.117181 | .00000817 |
| ORB.ENERGY,a.u. | -8.352200 | ||
| NORM | 1.000000 | < R > | .689387 | < R2 > | .554261 | < 1/R > | 2.118679 | < 1/R**2 > | 18.125095 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.187693 | .87469484 |
| 2 | 1s | 13.462699 | .12502840 |
| 3 | 2s | 6.427879 | .02560036 |
| 4 | 3s | 8.114955 | -.02841288 |
| 5 | 4s | 18.304594 | .00364232 |
| 6 | 5s | 10.853639 | .00390230 |
| 7 | 5s | 66.994407 | -.00002031 |
| ORB.ENERGY,a.u. | -40.403000 |
| NORM | 1.000000 | < R > | .156187 | < R2 > | .032719 | < 1/R > | 9.674096 | < 1/R**2 > | 188.888753 |
Total Energy= -104.23451986 a.u.
Kinetic Energy= 104.22490694 a.u.
Potential Energy= -208.45942680 a.u.
Virial Ratio = -2.00009223