(1s 2 2s 2 5p 1 ) 2 P Ne 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 2p | 1.396020 | 1.73100018 |
| 2 | 3p | 1.656083 | -4.01966748 |
| 3 | 4p | 1.288258 | 6.27078007 |
| 4 | 5p | 1.238470 | -4.87009122 |
| 5 | 2p | 5.623497 | .05622255 |
| 6 | 5p | 2.566865 | .12604817 |
| 7 | 3p | 10.423393 | -.00287047 |
| ORB.ENERGY,a.u. | -.769960 | ||
| NORM | .999997 | < R > | 5.687922 | < R2 > | 36.408795 | < 1/R > | .256719 | < 1/R**2 > | .238791 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.553521 | .35671254 |
| 2 | 2s | 3.859498 | -.76545463 |
| 3 | 3s | 5.148994 | -.30053177 |
| 4 | 4s | 13.019480 | .00889679 |
| 5 | 5s | 4.850878 | -.03699587 |
| 6 | 3s | 12.644599 | .00723766 |
| 7 | 5s | 25.906069 | .00039063 |
| ORB.ENERGY,a.u. | -7.241600 | ||
| NORM | 1.000000 | < R > | .712610 | < R2 > | .594001 | < 1/R > | 2.038040 | < 1/R**2 > | 16.748802 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.287412 | .88729997 |
| 2 | 1s | 13.566090 | .10832458 |
| 3 | 2s | 7.633020 | .01476813 |
| 4 | 3s | 8.783954 | -.00851222 |
| 5 | 4s | 19.031369 | .00387892 |
| 6 | 5s | 6.345428 | -.00006642 |
| ORB.ENERGY,a.u. | -40.132000 |
| NORM | 1.000000 | < R > | .156192 | < R2 > | .032712 | < 1/R > | 9.672308 | < 1/R**2 > | 188.810510 |
Total Energy= -110.88079460 a.u.
Kinetic Energy= 110.88078646 a.u.
Potential Energy= -221.76158106 a.u.
Virial Ratio = -2.00000007