(1s 2 2s 2 2p 2 5s 1 ) 2 P Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2150.
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 | 5s- electron | |
| 1 | 1s | 8.675793 | .04572934 |
| 2 | 2s | 2.647545 | -.27745979 |
| 3 | 3s | 1.267678 | 1.81517435 |
| 4 | 4s | 1.069384 | -3.63274763 |
| 5 | 5s | .894973 | 2.63219604 |
| 6 | 5s | 9.520433 | -.00652904 |
| 7 | 4s | 21.763782 | .00078238 |
| 8 | 5s | 30.587549 | -.00021159 |
| 9 | 2s | 13.888822 | .00071476 |
| ORB.ENERGY,a.u. | -.400740 | ||
| NORM | .999998 | < R > | 7.511564 | < R2 > | 63.144154 | < 1/R > | .186293 | < 1/R**2 > | .311419 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.244714 | .80404145 |
| 2 | 2p | 5.119334 | .22630399 |
| 3 | 2p | 11.851875 | .00796235 |
| 4 | 3p | 2.406758 | .00455621 |
| 5 | 4p | 4.062953 | -.00609327 |
| 6 | 4p | 7.271572 | -.01072761 |
| 7 | 5p | 22.090069 | -.00027504 |
| ORB.ENERGY,a.u. | -4.438500 | ||
| NORM | 1.000000 | < R > | .700289 | < R2 > | .601125 | < 1/R > | 1.833145 | < 1/R**2 > | 4.635512 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.107187 | .35763079 |
| 2 | 2s | 3.983836 | -.85408629 |
| 3 | 3s | 3.561682 | -.28842874 |
| 4 | 5s | 17.396687 | .00253426 |
| 5 | 4s | 10.375713 | .01810470 |
| 6 | 3s | 13.412203 | .01041362 |
| 7 | 5s | 1.334793 | -.01492579 |
| 8 | 2s | .479893 | .01878059 |
| 9 | 3s | 26.901197 | -.00030722 |
| 10 | 2s | .328346 | -.00357124 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .766370 | < R2 > | .693622 | < 1/R > | 1.888100 | < 1/R**2 > | 14.512350 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.255039 | .00960705 |
| 2 | 1s | 8.708262 | .61337540 |
| 3 | 1s | 13.244490 | .30211328 |
| 4 | 2s | 10.261440 | .13253691 |
| 5 | 3s | 10.466940 | -.04441745 |
| 6 | 4s | 21.094995 | .00193250 |
| 7 | 5s | .746210 | -.00648730 |
| 8 | 5s | 32.846151 | -.00007892 |
| 9 | 4s | .651612 | .00702398 |
| 10 | 2s | 29.582458 | .00019157 |
| 11 | 3s | .789896 | -.00097967 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .156999 | < R2 > | .033138 | < 1/R > | 9.641069 | < 1/R**2 > | 187.872912 |
Total Energy= -120.94761166 a.u.
Kinetic Energy= 120.94409334 a.u.
Potential Energy= -241.89170500 a.u.
Virial Ratio = -2.00002909