(1s 2 2s 2 2p 1 3p 1 ) 1 S S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 2p | 3.574768 | .85828620 |
| 2 | 3p | 3.875010 | -1.79863524 |
| 3 | 2p | 11.397218 | .01416915 |
| 4 | 4p | 7.962281 | .05151305 |
| 5 | 5p | 24.452513 | .00125133 |
| 6 | 5p | 4.077773 | -.00637742 |
| 7 | 4p | 39.661304 | .00011762 |
| ORB.ENERGY,a.u. | -7.504200 | ||
| NORM | 1.000000 | < R > | 1.049615 | < R2 > | 1.215569 | < 1/R > | 1.077430 | < 1/R**2 > | 1.497413 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.603210 | 1.04751788 |
| 2 | 3p | 3.605201 | -.32113604 |
| 3 | 2p | 11.437926 | .07729582 |
| 4 | 5p | 12.920893 | .01246066 |
| 5 | 4p | 26.077100 | -.00244992 |
| 6 | 5p | 3.286870 | .02382832 |
| 7 | 3p | 30.460603 | -.00064792 |
| 8 | 4p | 2.383881 | -.01351485 |
| 9 | 3p | 1.728941 | .00434219 |
| ORB.ENERGY,a.u. | -19.654000 | ||
| NORM | 1.000000 | < R > | .348785 | < R2 > | .165117 | < 1/R > | 3.692242 | < 1/R**2 > | 18.174869 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.769987 | .37749158 |
| 2 | 2s | 6.097871 | -.81091205 |
| 3 | 3s | 8.810869 | -.28345496 |
| 4 | 4s | 29.797207 | .00131365 |
| 5 | 5s | 17.032979 | -.00930999 |
| 6 | 5s | 7.011925 | .01485564 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .425803 | < R2 > | .212241 | < 1/R > | 3.449001 | < 1/R**2 > | 48.127945 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.183333 | .93013390 |
| 2 | 1s | 23.220319 | .06678061 |
| 3 | 2s | 14.161880 | .02029515 |
| 4 | 3s | 17.389526 | -.01459005 |
| 5 | 4s | 86.875978 | -.00004254 |
| 6 | 5s | 37.136035 | .00089871 |
| 7 | 4s | 11.104372 | .00000673 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096402 | < R2 > | .012447 | < 1/R > | 15.642853 | < 1/R**2 > | 492.525412 |
Total Energy= -323.87996667 a.u.
Kinetic Energy= 323.75967381 a.u.
Potential Energy= -647.63964048 a.u.
Virial Ratio = -2.00037155