(1s 2 2s 2 2p 1 3p 1 ) 3 P S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3.610940 | .92320199 |
| 2 | 3p | 3.889813 | -1.82855476 |
| 3 | 2p | 12.518594 | .00912746 |
| 4 | 4p | 6.921804 | .01919096 |
| 5 | 5p | 19.385698 | .00138453 |
| 6 | 4p | 3.338906 | -.00945758 |
| ORB.ENERGY,a.u. | -7.500000 | ||
| NORM | 1.000000 | < R > | 1.047113 | < R2 > | 1.211090 | < 1/R > | 1.083009 | < 1/R**2 > | 1.529100 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.311808 | 1.04447335 |
| 2 | 3p | 3.613511 | -.35664854 |
| 3 | 2p | 10.799332 | .10954811 |
| 4 | 5p | 15.537423 | .00586995 |
| 5 | 4p | 28.584527 | -.00225988 |
| 6 | 5p | 3.499191 | .02421355 |
| 7 | 3p | 34.374411 | -.00056021 |
| 8 | 4p | 2.897369 | -.01082606 |
| ORB.ENERGY,a.u. | -19.650000 | ||
| NORM | 1.000000 | < R > | .357217 | < R2 > | .176237 | < 1/R > | 3.632952 | < 1/R**2 > | 17.634081 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.755231 | .37640945 |
| 2 | 2s | 6.103132 | -.81097275 |
| 3 | 3s | 8.819515 | -.28358262 |
| 4 | 4s | 29.828357 | .00128969 |
| 5 | 5s | 17.086814 | -.00943071 |
| 6 | 5s | 7.014459 | .01472329 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .425613 | < R2 > | .211983 | < 1/R > | 3.442269 | < 1/R**2 > | 47.756588 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.213366 | .92860389 |
| 2 | 1s | 23.241034 | .06693696 |
| 3 | 2s | 15.306092 | .02033329 |
| 4 | 3s | 17.606366 | -.01376665 |
| 5 | 4s | 79.351887 | -.00006091 |
| 6 | 5s | 34.682311 | .00112444 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096187 | < R2 > | .012383 | < 1/R > | 15.667826 | < 1/R**2 > | 493.832057 |
Total Energy= -323.87580760 a.u.
Kinetic Energy= 323.58190305 a.u.
Potential Energy= -647.45771064 a.u.
Virial Ratio = -2.00090828