(1s 2 2s 2 2p 2 4p 1 ) 4 S Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4041.
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 | 4.090592 | .13814197 |
| 2 | 3p | .782752 | -.75560994 |
| 3 | 4p | 1.019902 | 2.08673848 |
| 4 | 5p | 2.984409 | -.25056655 |
| 5 | 2p | 10.778125 | .00191991 |
| 6 | 5p | 2.000610 | -.72276808 |
| 7 | 4p | 19.453963 | -.00004512 |
| 8 | 5p | .748368 | .03965189 |
| ORB.ENERGY,a.u. | -.597020 | ||
| NORM | 1.000002 | < R > | 4.829323 | < R2 > | 26.281142 | < 1/R > | .272544 | < 1/R**2 > | .172429 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.247753 | .82072336 |
| 2 | 2p | 5.276094 | .20449761 |
| 3 | 2p | 10.738968 | .01052800 |
| 4 | 3p | 1.177191 | -.06469916 |
| 5 | 4p | 1.051137 | .09010402 |
| 6 | 5p | 29.072345 | .00014104 |
| 7 | 5p | .988601 | -.02221707 |
| 8 | 4p | 19.609228 | -.00081852 |
| 9 | 3p | .695590 | .01022012 |
| ORB.ENERGY,a.u. | -4.323300 | ||
| NORM | 1.000000 | < R > | .698645 | < R2 > | .617134 | < 1/R > | 1.841898 | < 1/R**2 > | 4.671857 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.196301 | .35106496 |
| 2 | 2s | 3.932697 | -.84174054 |
| 3 | 3s | 3.652096 | -.27897922 |
| 4 | 4s | 11.418392 | .01186857 |
| 5 | 3s | 12.561439 | .01154312 |
| 6 | 5s | 3.379575 | -.01826813 |
| 7 | 5s | 37.301696 | -.00022972 |
| 8 | 4s | 2.757113 | .00936934 |
| 9 | 4s | 54.966860 | -.00005899 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767863 | < R2 > | .695271 | < 1/R > | 1.884097 | < 1/R**2 > | 14.454755 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.709594 | .61333172 |
| 2 | 1s | 13.272589 | .30141031 |
| 3 | 1s | 5.746061 | .00726961 |
| 4 | 2s | 10.365342 | .13442394 |
| 5 | 3s | 10.765032 | -.04343364 |
| 6 | 4s | 18.426352 | .00282342 |
| 7 | 5s | 60.486666 | -.00004223 |
| 8 | 5s | 5.855678 | .00024551 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .157008 | < R2 > | .033133 | < 1/R > | 9.640683 | < 1/R**2 > | 187.861495 |
Total Energy= -121.14197699 a.u.
Kinetic Energy= 121.14051076 a.u.
Potential Energy= -242.28248775 a.u.
Virial Ratio = -2.00001210