(1s 2 2s 2 2p 6 3s 2 3p 4 ) 3 P Cl +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 4p | 8.779301 | -.04232799 |
| 2 | 5p | 36.925925 | -.00012565 |
| 3 | 5p | 1.168297 | -.00085102 |
| 4 | 3p | 26.833406 | -.00019632 |
| 5 | 2p | 5.371293 | .39803562 |
| 6 | 2p | 1.483500 | -.87213595 |
| 7 | 3p | 2.621643 | -.21619647 |
| 8 | 2p | 12.671635 | .02505624 |
| ORB.ENERGY,a.u. | -.821590 | ||
| NORM | 1.000000 | < R > | 1.707998 | < R2 > | 3.424716 | < 1/R > | .783077 | < 1/R**2 > | 1.356758 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 7.116332 | -.08195156 |
| 2 | 1s | 12.742758 | .16569366 |
| 3 | 2s | 5.632995 | -.38615660 |
| 4 | 3s | 2.424750 | .86051363 |
| 5 | 4s | 4.314733 | .17453638 |
| 6 | 3s | 18.593352 | .00339734 |
| 7 | 5s | 2.162301 | .09111316 |
| 8 | 4s | 55.747581 | -.00005419 |
| ORB.ENERGY,a.u. | -1.507900 | ||
| NORM | 1.000000 | < R > | 1.506431 | < R2 > | 2.617551 | < 1/R > | .901778 | < 1/R**2 > | 4.718809 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.345208 | .46809014 |
| 2 | 3p | 7.251787 | .50921982 |
| 3 | 4p | 5.787173 | .11601280 |
| 4 | 5p | 3.850732 | .00345846 |
| 5 | 2p | 16.292447 | .00786942 |
| 6 | 5p | 40.251589 | -.00014362 |
| 7 | 3p | 19.794550 | -.00184572 |
| 8 | 4p | 1.821382 | .00046834 |
| 9 | 4p | 125.677245 | .00000134 |
| ORB.ENERGY,a.u. | -8.413200 | ||
| NORM | 1.000000 | < R > | .405527 | < R2 > | .204079 | < 1/R > | 3.202501 | < 1/R**2 > | 14.284947 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.759208 | .37498128 |
| 2 | 2s | 6.933143 | -.76887966 |
| 3 | 3s | 6.430790 | -.16162401 |
| 4 | 4s | 28.223489 | .00174063 |
| 5 | 2s | 4.834099 | -.19789739 |
| 6 | 3s | 17.462521 | .00676599 |
| 7 | 5s | 3.590122 | -.00117919 |
| 8 | 4s | 1.978885 | -.00016916 |
| ORB.ENERGY,a.u. | -10.912000 | ||
| NORM | 1.000000 | < R > | .441499 | < R2 > | .230934 | < 1/R > | 3.315900 | < 1/R**2 > | 45.245120 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577464 | 1.01110133 |
| 2 | 2s | 20.729848 | -.01846902 |
| 3 | 3s | 15.035283 | .01710082 |
| 4 | 4s | 61.761741 | -.00038444 |
| 5 | 4s | 8.097161 | .00128219 |
| 6 | 5s | 79.646033 | .00011114 |
| 7 | 5s | 8.204917 | -.00057900 |
| 8 | 2s | 28.409569 | -.00339016 |
| 9 | 2s | 153.791600 | .00000256 |
| 10 | 3s | 2.031220 | -.00002050 |
| ORB.ENERGY,a.u. | -104.700000 |
| NORM | 1.000000 | < R > | .091293 | < R2 > | .011199 | < 1/R > | 16.559977 | < 1/R**2 > | 552.993960 |
Total Energy= -459.04859009 a.u.
Kinetic Energy= 459.04859184 a.u.
Potential Energy= -918.09718193 a.u.
Virial Ratio = -2.00000000