(1s 2 2s 2 2p 4 3p 1 ) 2 P S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 4.368329 | .46540558 |
| 2 | 3p | 2.988551 | -1.05815544 |
| 3 | 4p | 3.165470 | -.17360698 |
| 4 | 2p | 9.907409 | .07275945 |
| 5 | 5p | 14.833033 | .00169078 |
| 6 | 5p | 36.689159 | -.00031712 |
| 7 | 4p | 54.776482 | -.00006056 |
| 8 | 5p | 2.668613 | -.00413964 |
| ORB.ENERGY,a.u. | -4.243200 | ||
| NORM | 1.000000 | < R > | 1.332888 | < R2 > | 2.001808 | < 1/R > | .957349 | < 1/R**2 > | 1.795582 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.971752 | 1.40448781 |
| 2 | 3p | 7.636028 | -.53032436 |
| 3 | 4p | 9.216689 | .12119509 |
| 4 | 5p | 3.794877 | -.01816913 |
| 5 | 5p | 17.322813 | .00591545 |
| 6 | 4p | 34.956187 | -.00041749 |
| 7 | 4p | 2.514478 | -.00183383 |
| 8 | 3p | 54.205978 | -.00002918 |
| ORB.ENERGY,a.u. | -12.709000 | ||
| NORM | 1.000000 | < R > | .400814 | < R2 > | .195460 | < 1/R > | 3.181598 | < 1/R**2 > | 13.869233 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.820398 | .39282310 |
| 2 | 2s | 6.756342 | -.84834849 |
| 3 | 3s | 6.247710 | -.29775977 |
| 4 | 4s | 17.314918 | .00971921 |
| 5 | 3s | 21.771324 | .00671884 |
| 6 | 5s | 30.385459 | .00090375 |
| 7 | 5s | 5.755752 | -.00704266 |
| 8 | 2s | 55.982148 | .00005845 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .453742 | < R2 > | .242496 | < 1/R > | 3.224355 | < 1/R**2 > | 42.504211 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.162077 | .91885974 |
| 2 | 1s | 22.076545 | .07780514 |
| 3 | 2s | 9.763776 | .01983110 |
| 4 | 3s | 11.813707 | -.01994496 |
| 5 | 4s | 14.219312 | .00920662 |
| 6 | 5s | 39.340424 | .00068433 |
| 7 | 4s | 83.115157 | -.00003747 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096905 | < R2 > | .012607 | < 1/R > | 15.591077 | < 1/R**2 > | 490.001203 |
Total Energy= -369.62303037 a.u.
Kinetic Energy= 369.50215745 a.u.
Potential Energy= -739.12518781 a.u.
Virial Ratio = -2.00032712