(1s 2 2s 2 2p 1 4p 1 ) 1 S S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | 6.579811 | .23872976 |
| 2 | 3p | 3.172013 | -.99188948 |
| 3 | 5p | 3.111832 | 1.42109779 |
| 4 | 4p | 4.490578 | -.29071338 |
| 5 | 5p | 8.519559 | .05514038 |
| 6 | 4p | 17.177080 | -.00409104 |
| 7 | 5p | 2.693123 | .18357201 |
| 8 | 5p | 40.858987 | -.00046882 |
| 9 | 4p | 62.800146 | -.00008643 |
| ORB.ENERGY,a.u. | -4.012600 | ||
| NORM | 1.000000 | < R > | 1.964946 | < R2 > | 4.353412 | < 1/R > | .652772 | < 1/R**2 > | .816773 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.671245 | 1.03864669 |
| 2 | 3p | 3.564883 | -.12823374 |
| 3 | 2p | 14.613466 | .02775914 |
| 4 | 5p | 11.732401 | -.01582797 |
| 5 | 5p | 3.020517 | .15318168 |
| 6 | 4p | 31.233763 | -.00055985 |
| 7 | 3p | 52.786371 | -.00001650 |
| 8 | 3p | 1.737066 | .00201405 |
| ORB.ENERGY,a.u. | -20.010000 | ||
| NORM | 1.000000 | < R > | .371884 | < R2 > | .199210 | < 1/R > | 3.512522 | < 1/R**2 > | 16.658145 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.756110 | .37912899 |
| 2 | 2s | 6.116380 | -.81173205 |
| 3 | 3s | 8.825550 | -.28421680 |
| 4 | 4s | 29.567145 | .00145408 |
| 5 | 5s | 16.985616 | -.00905181 |
| 6 | 5s | 6.743719 | .01615159 |
| 7 | 4s | 2.970742 | .00025891 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .424544 | < R2 > | .210852 | < 1/R > | 3.458984 | < 1/R**2 > | 48.379575 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.174788 | .93613405 |
| 2 | 1s | 23.956627 | .06118121 |
| 3 | 2s | 14.392022 | .02525496 |
| 4 | 3s | 23.498491 | -.00879927 |
| 5 | 4s | 19.265966 | -.01241583 |
| 6 | 5s | 42.218321 | .00068683 |
| 7 | 3s | 76.039114 | -.00002682 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096377 | < R2 > | .012440 | < 1/R > | 15.645663 | < 1/R**2 > | 492.665368 |
Total Energy= -320.45552965 a.u.
Kinetic Energy= 320.39312526 a.u.
Potential Energy= -640.84865491 a.u.
Virial Ratio = -2.00019477