(1s 2 2s 2 2p 1 5s 1 ) 3 P Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 5s- electron | |
| 1 | 1s | 12.775061 | .10047279 |
| 2 | 2s | 4.135495 | -.96701772 |
| 3 | 3s | 3.132196 | 3.95817201 |
| 4 | 4s | 2.620087 | -7.87459422 |
| 5 | 5s | 2.508691 | 5.46330517 |
| 6 | 5s | 19.348000 | -.00412712 |
| 7 | 4s | 9.875584 | -.02830554 |
| ORB.ENERGY,a.u. | -3.145400 | ||
| NORM | 1.000002 | < R > | 2.871730 | < R2 > | 9.229389 | < 1/R > | .509651 | < 1/R**2 > | 2.598795 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.147809 | 1.07876926 |
| 2 | 3p | 8.560170 | -.09212720 |
| 3 | 2p | 17.811075 | .01157817 |
| 4 | 5p | 22.354579 | .00205448 |
| 5 | 5p | 8.112703 | .00290225 |
| 6 | 2p | 81.864344 | -.00000186 |
| ORB.ENERGY,a.u. | -23.635000 | ||
| NORM | 1.000000 | < R > | .342182 | < R2 > | .141557 | < 1/R > | 3.688394 | < 1/R**2 > | 18.373796 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.341480 | .39445542 |
| 2 | 2s | 6.829869 | -.80867677 |
| 3 | 3s | 9.016056 | -.28681650 |
| 4 | 4s | 32.374509 | .00117256 |
| 5 | 5s | 17.969774 | -.01128684 |
| 6 | 5s | 3.693000 | .00234372 |
| 7 | 3s | 1.639463 | -.00188605 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .396016 | < R2 > | .183403 | < 1/R > | 3.713322 | < 1/R**2 > | 55.723469 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.199868 | .93810912 |
| 2 | 1s | 25.145826 | .05863723 |
| 3 | 2s | 15.645040 | .01984255 |
| 4 | 3s | 19.014656 | -.01428397 |
| 5 | 4s | 91.057140 | -.00004209 |
| 6 | 5s | 39.421855 | .00086874 |
| 7 | 5s | 9.839812 | .00014676 |
| 8 | 3s | 1.812035 | -.00013519 |
| 9 | 4s | 1.555086 | .00016737 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090551 | < R2 > | .010978 | < 1/R > | 16.646479 | < 1/R**2 > | 557.484920 |
Total Energy= -362.55881385 a.u.
Kinetic Energy= 362.56197258 a.u.
Potential Energy= -725.12078643 a.u.
Virial Ratio = -1.99999129