(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 3 S Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 3p | 1.107382 | -1.45417932 |
| 2 | 4p | 1.288319 | 2.61783467 |
| 3 | 5p | .955937 | -1.68494576 |
| 4 | 3p | 2.801676 | -.22452589 |
| 5 | 2p | 11.173538 | .01577969 |
| 6 | 2p | 5.459798 | .09491711 |
| 7 | 4p | 14.958941 | .00183441 |
| 8 | 2p | .569836 | .12112734 |
| ORB.ENERGY,a.u. | -.450510 | ||
| NORM | .999998 | < R > | 6.472554 | < R2 > | 46.857862 | < 1/R > | .209985 | < 1/R**2 > | .160936 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.000005 | .35641110 |
| 2 | 2p | 1.744552 | -.41822569 |
| 3 | 3p | 2.597242 | -.71188393 |
| 4 | 2p | 9.552966 | .10178214 |
| 5 | 3p | 14.080066 | -.00413049 |
| 6 | 4p | 1.640203 | .02079852 |
| 7 | 5p | 37.827331 | -.00025054 |
| 8 | 4p | 55.799571 | -.00004664 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.453510 | < R2 > | 2.429876 | < 1/R > | .922272 | < 1/R**2 > | 1.871303 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.386428 | -.35602020 |
| 2 | 1s | 12.221640 | .20717499 |
| 3 | 1s | 61.234528 | .00009569 |
| 4 | 2s | 5.547850 | -.24113804 |
| 5 | 3s | 2.818144 | 1.05836383 |
| 6 | 4s | 4.770695 | .07736390 |
| 7 | 3s | 36.348719 | -.00058819 |
| 8 | 5s | 2.719567 | .07267295 |
| 9 | 2s | .288860 | -.00015334 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.370497 | < R2 > | 2.137127 | < 1/R > | .995170 | < 1/R**2 > | 5.808320 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.785388 | .43133672 |
| 2 | 3p | 7.643599 | .51111104 |
| 3 | 5p | 4.466051 | .00576370 |
| 4 | 4p | 6.170673 | .15878855 |
| 5 | 2p | 24.564400 | .00153664 |
| 6 | 5p | 31.600314 | -.00013566 |
| 7 | 3p | 45.222900 | .00004369 |
| 8 | 3p | .397609 | .00015451 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404204 | < R2 > | .202511 | < 1/R > | 3.210183 | < 1/R**2 > | 14.343639 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.735960 | .37720761 |
| 2 | 2s | 6.941056 | -.76948022 |
| 3 | 3s | 6.359772 | -.16290535 |
| 4 | 4s | 27.722674 | .00178898 |
| 5 | 2s | 4.984446 | -.19720009 |
| 6 | 3s | 17.445648 | .00696993 |
| 7 | 4s | 3.008471 | -.00016891 |
| 8 | 5s | 49.849868 | .00003425 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .439861 | < R2 > | .228981 | < 1/R > | 3.327393 | < 1/R**2 > | 45.530194 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579112 | 1.01106996 |
| 2 | 2s | 20.627319 | -.01843000 |
| 3 | 3s | 15.108616 | .01701361 |
| 4 | 4s | 61.800202 | -.00038796 |
| 5 | 4s | 8.431062 | .00131854 |
| 6 | 5s | 79.848756 | .00010949 |
| 7 | 5s | 8.671133 | -.00052741 |
| 8 | 2s | 28.526219 | -.00343289 |
| 9 | 2s | 157.316660 | .00000253 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091274 | < R2 > | .011194 | < 1/R > | 16.562216 | < 1/R**2 > | 553.109535 |
Total Energy= -455.31582505 a.u.
Kinetic Energy= 455.31203178 a.u.
Potential Energy= -910.62785684 a.u.
Virial Ratio = -2.00000833