(1s 2 2s 2 2p 5 4d 1 ) 3 D Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 4d- electron | |
| 1 | 3d | 2.348647 | 1.24147643 |
| 2 | 4d | 2.024002 | -1.78078194 |
| 3 | 3d | 7.382567 | .03643512 |
| 4 | 4d | 5.269573 | .04013345 |
| 5 | 5d | 24.044950 | -.00008627 |
| ORB.ENERGY,a.u. | -2.074300 | ||
| NORM | 1.000000 | < R > | 2.502536 | < R2 > | 7.198665 | < 1/R > | .538060 | < 1/R**2 > | .492307 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.871766 | 1.18818500 |
| 2 | 3p | 6.921812 | -.25587356 |
| 3 | 2p | 13.098272 | .06592641 |
| 4 | 4p | 15.842025 | .01066752 |
| 5 | 5p | 3.066050 | -.00044550 |
| 6 | 4p | 3.648845 | .00086317 |
| 7 | 4p | 68.059686 | .00002039 |
| ORB.ENERGY,a.u. | -14.086000 | ||
| NORM | 1.000000 | < R > | .387290 | < R2 > | .184363 | < 1/R > | 3.322264 | < 1/R**2 > | 15.234173 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.617152 | .39121797 |
| 2 | 2s | 7.167348 | -.84242998 |
| 3 | 3s | 6.474324 | -.30518550 |
| 4 | 4s | 18.804417 | .00510684 |
| 5 | 3s | 20.758848 | .00673310 |
| 6 | 5s | 36.180685 | .00045166 |
| 7 | 5s | 5.392705 | -.00342310 |
| 8 | 4s | 3.696630 | .00176855 |
| 9 | 3s | 2.641100 | -.00053014 |
| 10 | 2s | 72.180084 | .00001575 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .429658 | < R2 > | .217671 | < 1/R > | 3.406892 | < 1/R**2 > | 47.548893 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.184025 | .92695774 |
| 2 | 1s | 23.720097 | .06885285 |
| 3 | 2s | 10.144937 | .02129936 |
| 4 | 3s | 12.570210 | -.02159216 |
| 5 | 4s | 15.577947 | .01061026 |
| 6 | 5s | 40.747828 | .00070531 |
| 7 | 4s | 92.366270 | -.00003441 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091150 | < R2 > | .011156 | < 1/R > | 16.576465 | < 1/R**2 > | 553.850694 |
Total Energy= -434.09334217 a.u.
Kinetic Energy= 434.07999012 a.u.
Potential Energy= -868.17333229 a.u.
Virial Ratio = -2.00003076