(1s 2 2s 2 2p 1 3d 1 ) 1 P Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | 1.701778 | .93573879 |
| 2 | 3d | 4.172040 | .01773518 |
| 3 | 5d | 1.545203 | -.01554478 |
| 4 | 4d | 1.548652 | .07339976 |
| 5 | 5d | 10.553248 | -.00073966 |
| 6 | 4d | 7.668606 | .00522830 |
| 7 | 3d | 12.936775 | .00028989 |
| ORB.ENERGY,a.u. | -1.388700 | ||
| NORM | 1.000000 | < R > | 2.075289 | < R2 > | 4.944408 | < 1/R > | .566749 | < 1/R**2 > | .391171 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.597538 | .87223657 |
| 2 | 2p | 5.605484 | .13325184 |
| 3 | 2p | 11.306471 | .00871327 |
| 4 | 3p | 2.098013 | -.00200000 |
| 5 | 4p | 3.247884 | .00782479 |
| 6 | 4p | 18.331163 | -.00064109 |
| ORB.ENERGY,a.u. | -5.121800 | ||
| NORM | 1.000000 | < R > | .658618 | < R2 > | .527652 | < 1/R > | 1.931746 | < 1/R**2 > | 5.095069 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.876970 | .32353708 |
| 2 | 2s | 3.379534 | -.79008534 |
| 3 | 3s | 5.265973 | -.27129951 |
| 4 | 4s | 17.044170 | .00322517 |
| 5 | 5s | 10.365023 | -.01216046 |
| 6 | 5s | 3.622719 | .01538242 |
| 7 | 4s | 31.601966 | .00012867 |
| 8 | 4s | 2.748121 | -.00406025 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .741340 | < R2 > | .645837 | < 1/R > | 1.955433 | < 1/R**2 > | 15.503699 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.560365 | .00040984 |
| 2 | 1s | 9.271329 | .89165480 |
| 3 | 1s | 13.710237 | .10449558 |
| 4 | 2s | 7.481829 | .01483833 |
| 5 | 3s | 10.848712 | -.00734289 |
| 6 | 4s | 18.665357 | .00416780 |
| 7 | 5s | 10.256793 | -.00181887 |
| 8 | 5s | 36.806628 | .00007934 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156631 | < R2 > | .032938 | < 1/R > | 9.655182 | < 1/R**2 > | 188.295507 |
Total Energy= -117.35547167 a.u.
Kinetic Energy= 117.29952433 a.u.
Potential Energy= -234.65499599 a.u.
Virial Ratio = -2.00047696