(1s 2 2s 2 2p 6 3s 2 3p 3 5p 1 ) 5 P Cl +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5151.
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 | 5p- electron | |
| 1 | 2p | 10.112980 | .01249578 |
| 2 | 2p | 5.255435 | .05147547 |
| 3 | 5p | 2.439839 | -.05927879 |
| 4 | 4p | 28.383957 | -.00013109 |
| 5 | 4p | .911605 | .82207564 |
| 6 | 5p | .580580 | -1.25603965 |
| 7 | 3p | 2.666063 | -.16615305 |
| ORB.ENERGY,a.u. | -.145020 | ||
| NORM | 1.000001 | < R > | 10.010754 | < R2 > | 112.325563 | < 1/R > | .131846 | < 1/R**2 > | .059481 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 6.115959 | .49944394 |
| 2 | 2p | 1.712269 | -1.27538606 |
| 3 | 3p | 10.008289 | -.06515210 |
| 4 | 4p | 5.315686 | .13030946 |
| 5 | 5p | 11.063202 | -.02044949 |
| 6 | 3p | 1.723176 | .10635154 |
| 7 | 4p | 35.187785 | -.00010449 |
| 8 | 5p | .716497 | .00059195 |
| 9 | 4p | 1.408261 | -.00508853 |
| ORB.ENERGY,a.u. | -.821590 | ||
| NORM | 1.000000 | < R > | 1.598885 | < R2 > | 2.965068 | < 1/R > | .832641 | < 1/R**2 > | 1.522827 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.256867 | .53050459 |
| 2 | 1s | 13.476607 | .11010013 |
| 3 | 2s | 5.041430 | -.54797249 |
| 4 | 3s | 2.528889 | .63645059 |
| 5 | 4s | 4.543327 | .08420935 |
| 6 | 2s | 8.069720 | -.11600249 |
| 7 | 4s | 26.029999 | .00112490 |
| 8 | 2s | 32.649019 | -.00015241 |
| 9 | 5s | 1.734629 | -.02856402 |
| ORB.ENERGY,a.u. | -1.507900 | ||
| NORM | 1.000000 | < R > | 1.459545 | < R2 > | 2.443052 | < 1/R > | .930729 | < 1/R**2 > | 5.040994 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.343420 | .46883192 |
| 2 | 3p | 7.253791 | .50888607 |
| 3 | 4p | 5.787419 | .11605633 |
| 4 | 5p | 3.774803 | .00268757 |
| 5 | 2p | 17.204410 | .00683991 |
| 6 | 5p | 37.287144 | -.00017832 |
| 7 | 3p | 22.260773 | -.00092994 |
| 8 | 4p | 100.455086 | .00000336 |
| 9 | 3p | .771278 | .00002754 |
| ORB.ENERGY,a.u. | -8.413200 | ||
| NORM | 1.000000 | < R > | .405162 | < R2 > | .203616 | < 1/R > | 3.204422 | < 1/R**2 > | 14.299147 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.756842 | .37534294 |
| 2 | 2s | 6.934994 | -.76910048 |
| 3 | 3s | 6.431282 | -.16169837 |
| 4 | 4s | 28.168821 | .00175380 |
| 5 | 2s | 4.847029 | -.19777787 |
| 6 | 3s | 17.504107 | .00673437 |
| 7 | 5s | 3.420970 | -.00086191 |
| ORB.ENERGY,a.u. | -10.912000 | ||
| NORM | 1.000000 | < R > | .441155 | < R2 > | .230520 | < 1/R > | 3.318294 | < 1/R**2 > | 45.304456 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577796 | 1.01109442 |
| 2 | 2s | 20.713806 | -.01846303 |
| 3 | 3s | 15.045756 | .01708877 |
| 4 | 4s | 61.931537 | -.00038647 |
| 5 | 4s | 8.072982 | .00129012 |
| 6 | 5s | 79.703302 | .00011138 |
| 7 | 5s | 8.178528 | -.00058191 |
| 8 | 2s | 28.415780 | -.00339139 |
| 9 | 2s | 164.634417 | .00000223 |
| 10 | 3s | 2.070140 | -.00001414 |
| ORB.ENERGY,a.u. | -104.700000 |
| NORM | 1.000000 | < R > | .091289 | < R2 > | .011198 | < 1/R > | 16.560433 | < 1/R**2 > | 553.017344 |
Total Energy= -458.36899645 a.u.
Kinetic Energy= 458.37145474 a.u.
Potential Energy= -916.74045119 a.u.
Virial Ratio = -1.99999464