(1s 2 2s 2 2p 6 3s 2 3p 1 4p 1 ) 3 D Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3241.
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 | .801060 | .38969127 |
| 2 | 4p | .814695 | -.03603449 |
| 3 | 5p | 1.561371 | .79290862 |
| 4 | 4p | 2.917615 | -.48775667 |
| 5 | 2p | 7.789329 | .11880123 |
| 6 | 5p | 5.346452 | -.11296096 |
| 7 | 3p | 12.479275 | -.00652821 |
| 8 | 5p | 23.307967 | .00036349 |
| ORB.ENERGY,a.u. | -.807240 | ||
| NORM | 1.000000 | < R > | 3.592588 | < R2 > | 14.404830 | < 1/R > | .364398 | < 1/R**2 > | .380487 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.896381 | .36352418 |
| 2 | 2p | 1.863705 | -.43574360 |
| 3 | 3p | 2.577772 | -.69230060 |
| 4 | 2p | 9.226405 | .11563133 |
| 5 | 3p | 12.011158 | -.00856884 |
| 6 | 4p | 28.250817 | -.00054896 |
| 7 | 5p | 1.509770 | .00092536 |
| 8 | 3p | 36.329933 | -.00008569 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.452048 | < R2 > | 2.426021 | < 1/R > | .923893 | < 1/R**2 > | 1.879291 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 7.899481 | -.11173251 |
| 2 | 1s | 12.185748 | .21386790 |
| 3 | 1s | 63.504499 | .00008507 |
| 4 | 2s | 5.544672 | -.46060109 |
| 5 | 3s | 2.680979 | 1.00653756 |
| 6 | 4s | 4.262912 | .10385432 |
| 7 | 3s | 36.726777 | -.00058658 |
| 8 | 5s | 2.301970 | .01834963 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.374122 | < R2 > | 2.149580 | < 1/R > | .992531 | < 1/R**2 > | 5.776946 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.789033 | .43082040 |
| 2 | 3p | 7.644245 | .51164563 |
| 3 | 5p | 4.427844 | .00579206 |
| 4 | 4p | 6.164672 | .15895344 |
| 5 | 2p | 24.278129 | .00158055 |
| 6 | 5p | 32.529114 | -.00015779 |
| 7 | 3p | 48.993024 | .00003011 |
| 8 | 4p | 1.106494 | -.00018687 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404328 | < R2 > | .202655 | < 1/R > | 3.209471 | < 1/R**2 > | 14.338251 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.735586 | .37713797 |
| 2 | 2s | 6.940967 | -.76940635 |
| 3 | 3s | 6.357830 | -.16290279 |
| 4 | 4s | 27.772132 | .00181340 |
| 5 | 2s | 4.982920 | -.19722005 |
| 6 | 3s | 17.388466 | .00698721 |
| 7 | 4s | 3.897687 | -.00033439 |
| 8 | 5s | 51.725210 | .00003014 |
| 9 | 5s | 1.345986 | .00003046 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .439968 | < R2 > | .229105 | < 1/R > | 3.326631 | < 1/R**2 > | 45.511214 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579112 | 1.01106202 |
| 2 | 2s | 20.635130 | -.01842064 |
| 3 | 3s | 15.105111 | .01701742 |
| 4 | 4s | 61.750882 | -.00038690 |
| 5 | 4s | 8.441352 | .00131541 |
| 6 | 5s | 79.839881 | .00010936 |
| 7 | 5s | 8.679435 | -.00052657 |
| 8 | 2s | 28.524130 | -.00343261 |
| 9 | 2s | 153.087272 | .00000267 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091275 | < R2 > | .011194 | < 1/R > | 16.562065 | < 1/R**2 > | 553.101644 |
Total Energy= -455.65596043 a.u.
Kinetic Energy= 455.66866443 a.u.
Potential Energy= -911.32462486 a.u.
Virial Ratio = -1.99997212