(1s 2 2s 2 2p 6 3s 2 3p 2 5s 1 ) 2 P Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2150.
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 | 5s- electron | |
| 1 | 1s | 13.781651 | .02853018 |
| 2 | 2s | 5.238652 | -.12987320 |
| 3 | 3s | 2.662658 | .45259689 |
| 4 | 4s | 1.259031 | -1.43626225 |
| 5 | 5s | .858342 | 1.39678195 |
| 6 | 4s | 3.318890 | -.15354483 |
| 7 | 3s | 1.089489 | .41207515 |
| 8 | 5s | 19.426750 | -.00116159 |
| ORB.ENERGY,a.u. | -.506150 | ||
| NORM | 1.000000 | < R > | 6.997279 | < R2 > | 54.655911 | < 1/R > | .189531 | < 1/R**2 > | .297452 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.870427 | .37504774 |
| 2 | 2p | 1.742291 | -.79410868 |
| 3 | 3p | 2.392451 | -.39320500 |
| 4 | 2p | 8.939908 | .11512254 |
| 5 | 4p | 1.988991 | .06960164 |
| 6 | 3p | 12.897884 | -.01245946 |
| 7 | 4p | 10.276548 | -.00913241 |
| 8 | 5p | 22.221650 | .00089346 |
| 9 | 5p | .667226 | -.00032802 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.524991 | < R2 > | 2.683175 | < 1/R > | .874910 | < 1/R**2 > | 1.682395 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.460381 | 2.21994830 |
| 2 | 1s | 16.785175 | .03676389 |
| 3 | 2s | 6.029601 | -1.18391155 |
| 4 | 3s | 1.698097 | -.32381757 |
| 5 | 4s | 5.024511 | -.39885124 |
| 6 | 5s | 8.004730 | -.11984989 |
| 7 | 4s | .708587 | .00544076 |
| 8 | 3s | 58.610667 | -.00021233 |
| 9 | 4s | 90.599278 | .00007504 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | .999999 | < R > | 1.411062 | < R2 > | 2.273538 | < 1/R > | .964357 | < 1/R**2 > | 5.434115 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.958250 | .41303678 |
| 2 | 3p | 7.908515 | .49214150 |
| 3 | 4p | 6.544493 | .18793749 |
| 4 | 5p | 5.328899 | .01825479 |
| 5 | 5p | 34.525544 | -.00020132 |
| 6 | 3p | 2.486684 | .00152680 |
| 7 | 2p | 24.105318 | .00153261 |
| 8 | 4p | 88.042185 | .00000664 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404837 | < R2 > | .203254 | < 1/R > | 3.206475 | < 1/R**2 > | 14.315239 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.749850 | .37609830 |
| 2 | 2s | 6.937529 | -.76849134 |
| 3 | 3s | 6.409684 | -.16215077 |
| 4 | 4s | 27.413722 | .00192953 |
| 5 | 2s | 4.905340 | -.19794121 |
| 6 | 3s | 17.586217 | .00643488 |
| 7 | 4s | 3.227556 | -.00063288 |
| 8 | 5s | 53.895498 | .00003857 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440557 | < R2 > | .229809 | < 1/R > | 3.322528 | < 1/R**2 > | 45.409761 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578466 | 1.01107703 |
| 2 | 2s | 20.676787 | -.01844158 |
| 3 | 3s | 15.068729 | .01706125 |
| 4 | 4s | 62.077309 | -.00038909 |
| 5 | 4s | 8.145085 | .00130193 |
| 6 | 5s | 80.173503 | .00011161 |
| 7 | 5s | 8.268890 | -.00056962 |
| 8 | 2s | 28.466648 | -.00340509 |
| 9 | 2s | 165.077283 | .00000221 |
| 10 | 3s | 2.632859 | -.00000612 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091282 | < R2 > | .011196 | < 1/R > | 16.561258 | < 1/R**2 > | 553.059837 |
Total Energy= -457.11855246 a.u.
Kinetic Energy= 457.11376311 a.u.
Potential Energy= -914.23231557 a.u.
Virial Ratio = -2.00001048