(1s 2 2s 2 2p 1 4s 1 ) 1 P Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1140.
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 | 4s- electron | |
| 1 | 1s | 7.997044 | .09174242 |
| 2 | 2s | 2.802808 | -.54369466 |
| 3 | 3s | 1.961500 | 1.36819896 |
| 4 | 4s | 1.386508 | -1.93336314 |
| 5 | 5s | 8.743671 | -.00631373 |
| 6 | 5s | 2.094761 | .54976160 |
| 7 | 4s | 3.782819 | -.07178671 |
| 8 | 5s | 19.505870 | .00133274 |
| 9 | 4s | 26.947793 | .00033396 |
| ORB.ENERGY,a.u. | -.965950 | ||
| NORM | 1.000001 | < R > | 3.906884 | < R2 > | 17.126329 | < 1/R > | .357164 | < 1/R**2 > | .954070 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.546632 | .89907581 |
| 2 | 2p | 5.792092 | .12602571 |
| 3 | 2p | 11.703682 | .00701153 |
| 4 | 3p | 3.884310 | -.01454776 |
| 5 | 4p | 2.369025 | .00187786 |
| 6 | 4p | 18.148222 | -.00063961 |
| 7 | 5p | 1.147372 | .00012350 |
| ORB.ENERGY,a.u. | -5.452300 | ||
| NORM | 1.000000 | < R > | .663499 | < R2 > | .535988 | < 1/R > | 1.919605 | < 1/R**2 > | 5.037706 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.829901 | .32768636 |
| 2 | 2s | 3.457289 | -.78498384 |
| 3 | 3s | 5.207287 | -.27148588 |
| 4 | 4s | 16.609860 | .00293131 |
| 5 | 5s | 10.066029 | -.01139699 |
| 6 | 5s | 1.460104 | -.00719571 |
| 7 | 4s | 3.009294 | .01659225 |
| 8 | 3s | 14.210612 | .00153737 |
| 9 | 5s | 4.726891 | -.01374630 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .737665 | < R2 > | .639113 | < 1/R > | 1.964823 | < 1/R**2 > | 15.641334 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | .552403 | .00090569 |
| 2 | 1s | 9.270787 | .89205739 |
| 3 | 1s | 13.747510 | .10390420 |
| 4 | 2s | 7.769315 | .01479442 |
| 5 | 3s | 9.907280 | -.00781968 |
| 6 | 4s | 18.033646 | .00340113 |
| 7 | 5s | 3.039571 | -.00075869 |
| 8 | 5s | 29.486482 | .00031487 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156646 | < R2 > | .032950 | < 1/R > | 9.654575 | < 1/R**2 > | 188.276197 |
Total Energy= -116.88378406 a.u.
Kinetic Energy= 116.87612254 a.u.
Potential Energy= -233.75990660 a.u.
Virial Ratio = -2.00006555