(1s 2 2s 2 2p 2 3p 1 ) 2 D Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2231.
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 | 5.358364 | .72097672 |
| 2 | 3p | 3.838861 | -1.36380961 |
| 3 | 2p | 13.958423 | .02468240 |
| 4 | 4p | 9.374372 | -.04442447 |
| 5 | 5p | 23.656080 | .00148222 |
| 6 | 5p | 3.643106 | .00805539 |
| 7 | 4p | 40.701110 | .00004837 |
| ORB.ENERGY,a.u. | -7.527900 | ||
| NORM | 1.000000 | < R > | 1.031649 | < R2 > | 1.203200 | < 1/R > | 1.261771 | < 1/R**2 > | 3.126180 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.743418 | 1.37024136 |
| 2 | 3p | 8.614394 | -.39381640 |
| 3 | 2p | 4.110283 | -.08549946 |
| 4 | 4p | 10.858943 | .09252671 |
| 5 | 5p | 21.530560 | .00377036 |
| 6 | 3p | 2.191383 | -.02590197 |
| 7 | 5p | 2.734814 | .01503522 |
| 8 | 3p | 27.649467 | -.00010705 |
| ORB.ENERGY,a.u. | -65.066000 | ||
| NORM | 1.000000 | < R > | .345154 | < R2 > | .143224 | < 1/R > | 3.644339 | < 1/R**2 > | 17.922295 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.351248 | .42842175 |
| 2 | 2s | 7.462440 | -.86831867 |
| 3 | 3s | 7.599582 | -.28606835 |
| 4 | 4s | 28.885323 | .00196814 |
| 5 | 3s | 15.524238 | .01732802 |
| 6 | 5s | 7.306972 | -.02024963 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .405405 | < R2 > | .192652 | < 1/R > | 3.622185 | < 1/R**2 > | 53.242045 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.057068 | .92201768 |
| 2 | 1s | 24.205644 | .07678090 |
| 3 | 2s | 15.032433 | .01931136 |
| 4 | 3s | 18.651740 | -.01559349 |
| 5 | 5s | 40.231130 | .00078434 |
| 6 | 4s | 92.625735 | -.00003698 |
| 7 | 5s | 14.156440 | .00036181 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090761 | < R2 > | .011040 | < 1/R > | 16.621371 | < 1/R**2 > | 556.173064 |
Total Energy= -388.75890880 a.u.
Kinetic Energy= 388.68239511 a.u.
Potential Energy= -777.44130391 a.u.
Virial Ratio = -2.00019685