(1s 2 2s 2 2p 6 3s 2 3p 3 4p 1 ) 5 P Cl +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5141.
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 | 4p- electron | |
| 1 | 2p | .439733 | .82463778 |
| 2 | 5p | 1.101120 | .48446254 |
| 3 | 4p | 3.671766 | -.21956727 |
| 4 | 2p | 7.227718 | .08467750 |
| 5 | 5p | 2.667413 | -.20785961 |
| 6 | 3p | 10.001243 | -.01184005 |
| 7 | 4p | 32.477560 | -.00010466 |
| 8 | 3p | .344210 | -.51166566 |
| 9 | 4p | .312257 | .31832845 |
| 10 | 5p | .299603 | -.18908763 |
| 11 | 3p | .217721 | .11344843 |
| ORB.ENERGY,a.u. | -.278630 | ||
| NORM | 1.000001 | < R > | 5.113554 | < R2 > | 29.294079 | < 1/R > | .244644 | < 1/R**2 > | .158324 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 6.200700 | .48205489 |
| 2 | 2p | 1.770366 | -1.17504130 |
| 3 | 3p | 10.348651 | -.05572432 |
| 4 | 4p | 5.381450 | .13922289 |
| 5 | 5p | 11.462635 | -.01942882 |
| 6 | 3p | 1.050016 | -.01078961 |
| 7 | 4p | 35.126827 | -.00007346 |
| 8 | 5p | .513431 | -.00015772 |
| ORB.ENERGY,a.u. | -.821590 | ||
| NORM | 1.000000 | < R > | 1.602691 | < R2 > | 2.982969 | < 1/R > | .831238 | < 1/R**2 > | 1.518534 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.254407 | .53082099 |
| 2 | 1s | 13.473944 | .11000588 |
| 3 | 2s | 5.040240 | -.54752637 |
| 4 | 3s | 2.526399 | .63576977 |
| 5 | 4s | 4.550234 | .08416358 |
| 6 | 2s | 8.078639 | -.11568598 |
| 7 | 4s | 25.918464 | .00115002 |
| 8 | 2s | 33.251968 | -.00014405 |
| 9 | 5s | 1.753254 | -.02791761 |
| ORB.ENERGY,a.u. | -1.507900 | ||
| NORM | 1.000000 | < R > | 1.461371 | < R2 > | 2.449973 | < 1/R > | .929617 | < 1/R**2 > | 5.028669 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.344076 | .46871770 |
| 2 | 3p | 7.253878 | .50899478 |
| 3 | 4p | 5.785918 | .11609869 |
| 4 | 5p | 3.768286 | .00270477 |
| 5 | 2p | 17.201673 | .00684130 |
| 6 | 5p | 37.208607 | -.00017954 |
| 7 | 3p | 22.280858 | -.00092863 |
| 8 | 4p | 100.562475 | .00000339 |
| ORB.ENERGY,a.u. | -8.413200 | ||
| NORM | 1.000000 | < R > | .405195 | < R2 > | .203655 | < 1/R > | 3.204230 | < 1/R**2 > | 14.297685 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.756747 | .37532072 |
| 2 | 2s | 6.934825 | -.76908423 |
| 3 | 3s | 6.429518 | -.16170883 |
| 4 | 4s | 28.166869 | .00175680 |
| 5 | 2s | 4.847431 | -.19777265 |
| 6 | 3s | 17.496920 | .00673657 |
| 7 | 5s | 3.495173 | -.00090017 |
| ORB.ENERGY,a.u. | -10.912000 | ||
| NORM | 1.000000 | < R > | .441189 | < R2 > | .230559 | < 1/R > | 3.318059 | < 1/R**2 > | 45.298634 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577761 | 1.01109518 |
| 2 | 2s | 20.715279 | -.01846374 |
| 3 | 3s | 15.044783 | .01708998 |
| 4 | 4s | 61.915668 | -.00038628 |
| 5 | 4s | 8.075513 | .00128925 |
| 6 | 5s | 79.696713 | .00011136 |
| 7 | 5s | 8.180997 | -.00058165 |
| 8 | 2s | 28.415211 | -.00339130 |
| 9 | 2s | 163.615528 | .00000226 |
| 10 | 3s | 2.078497 | -.00001431 |
| ORB.ENERGY,a.u. | -104.700000 |
| NORM | 1.000000 | < R > | .091289 | < R2 > | .011198 | < 1/R > | 16.560387 | < 1/R**2 > | 553.014960 |
Total Energy= -458.49768653 a.u.
Kinetic Energy= 458.50503728 a.u.
Potential Energy= -917.00272381 a.u.
Virial Ratio = -1.99998397