(1s 2 2s 2 2p 3 4p 1 ) 5 P Ne 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5141.
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 | 3.107446 | .16191267 |
| 2 | 3p | 1.060776 | -1.21327031 |
| 3 | 4p | .874954 | 1.89724196 |
| 4 | 5p | 2.071234 | -.07728535 |
| 5 | 2p | 6.714395 | .02454277 |
| 6 | 5p | .945246 | -.15311552 |
| 7 | 4p | 7.794550 | .00841602 |
| ORB.ENERGY,a.u. | -.366410 | ||
| NORM | 1.000001 | < R > | 5.868800 | < R2 > | 38.934709 | < 1/R > | .234792 | < 1/R**2 > | .161949 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.990014 | .76889293 |
| 2 | 2p | 4.928676 | .24650075 |
| 3 | 2p | 9.969246 | .01637716 |
| 4 | 3p | 2.887528 | -.00575743 |
| 5 | 4p | 2.307604 | .01488688 |
| 6 | 5p | 12.484514 | .00274416 |
| 7 | 5p | 2.135167 | -.00448457 |
| ORB.ENERGY,a.u. | -3.309900 | ||
| NORM | 1.000000 | < R > | .743559 | < R2 > | .683714 | < 1/R > | 1.743754 | < 1/R**2 > | 4.240425 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.252837 | .33381307 |
| 2 | 2s | 3.851427 | -.82455655 |
| 3 | 3s | 3.270262 | -.28671428 |
| 4 | 4s | 12.437439 | .01412325 |
| 5 | 3s | 14.708303 | .00465930 |
| 6 | 5s | 24.677936 | .00055379 |
| 7 | 5s | 5.728760 | -.00963644 |
| 8 | 4s | 7.410236 | -.00429447 |
| 9 | 3s | .508200 | .00011407 |
| ORB.ENERGY,a.u. | -3.109400 | ||
| NORM | 1.000000 | < R > | .798113 | < R2 > | .755199 | < 1/R > | 1.811439 | < 1/R**2 > | 13.423551 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.071255 | .86633805 |
| 2 | 1s | 13.143560 | .14162190 |
| 3 | 1s | 2.100957 | -.00210391 |
| 4 | 2s | 7.957259 | -.00742439 |
| 5 | 3s | 6.360146 | .00607760 |
| 6 | 4s | 19.402871 | .00301416 |
| 7 | 5s | 57.460131 | -.00002141 |
| 8 | 5s | 4.001261 | .00081010 |
| ORB.ENERGY,a.u. | -33.976000 |
| NORM | 1.000000 | < R > | .157283 | < R2 > | .033279 | < 1/R > | 9.630375 | < 1/R**2 > | 187.555607 |
Total Energy= -124.46437961 a.u.
Kinetic Energy= 124.47057628 a.u.
Potential Energy= -248.93495589 a.u.
Virial Ratio = -1.99995022