(1s 2 2s 2 2p 2 3p 1 ) 4 P Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4131.
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 | 3p- electron | |
| 1 | 3p | 1.577973 | -1.14295566 |
| 2 | 2p | 2.698402 | .42835743 |
| 3 | 2p | 6.486017 | .06534313 |
| 4 | 4p | 8.034612 | .01670702 |
| 5 | 5p | 4.523691 | -.03497987 |
| 6 | 5p | 1.463554 | -.00396693 |
| ORB.ENERGY,a.u. | -1.167300 | ||
| NORM | 1.000000 | < R > | 2.373252 | < R2 > | 6.427068 | < 1/R > | .560129 | < 1/R**2 > | .669322 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.081244 | .21538295 |
| 2 | 2p | 9.730842 | .01617466 |
| 3 | 3p | 1.932817 | .01940627 |
| 4 | 4p | 1.653292 | -.00777584 |
| 5 | 5p | 21.112257 | -.00110047 |
| 6 | 5p | 1.641750 | .00371826 |
| 7 | 4p | 30.891310 | -.00021326 |
| 8 | 2p | 3.263643 | .78672283 |
| ORB.ENERGY,a.u. | -4.078700 | ||
| NORM | 1.000000 | < R > | .702338 | < R2 > | .606254 | < 1/R > | 1.830843 | < 1/R**2 > | 4.628077 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.198987 | .34986451 |
| 2 | 2s | 3.931808 | -.83899167 |
| 3 | 3s | 3.645925 | -.27867339 |
| 4 | 4s | 11.625410 | .01460704 |
| 5 | 3s | 13.581672 | .00924666 |
| 6 | 5s | 3.377780 | -.01337446 |
| 7 | 5s | 36.266955 | -.00029920 |
| 8 | 4s | 53.617205 | -.00007582 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .770355 | < R2 > | .700436 | < 1/R > | 1.878486 | < 1/R**2 > | 14.376306 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.706728 | .61322729 |
| 2 | 1s | 13.271482 | .30149010 |
| 3 | 1s | 5.965662 | .00722206 |
| 4 | 2s | 10.358917 | .13444197 |
| 5 | 3s | 10.785393 | -.04340372 |
| 6 | 4s | 18.468988 | .00283871 |
| 7 | 5s | 60.474332 | -.00004109 |
| 8 | 5s | 6.498451 | .00032805 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .157037 | < R2 > | .033148 | < 1/R > | 9.639500 | < 1/R**2 > | 187.825570 |
Total Energy= -121.69428795 a.u.
Kinetic Energy= 121.71059783 a.u.
Potential Energy= -243.40488577 a.u.
Virial Ratio = -1.99986599