(1s 2 2s 2 2p 1 3p 1 ) 3 S Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3031.
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 | 2p | 5.594421 | .71960129 |
| 2 | 3p | 4.141465 | -1.38987943 |
| 3 | 2p | 11.377478 | .06625743 |
| 4 | 4p | 14.574227 | .01169218 |
| 5 | 5p | 3.793781 | .01954038 |
| 6 | 4p | 3.262948 | -.01246079 |
| 7 | 5p | 43.441115 | -.00009327 |
| ORB.ENERGY,a.u. | -8.806300 | ||
| NORM | 1.000000 | < R > | .948651 | < R2 > | 1.030723 | < 1/R > | 1.439787 | < 1/R**2 > | 4.260649 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.178859 | 1.06992638 |
| 2 | 3p | 8.285649 | -.08814436 |
| 3 | 2p | 17.667545 | .01219862 |
| 4 | 5p | 21.777909 | .00202545 |
| 5 | 5p | 7.357997 | .00993911 |
| 6 | 4p | 10.372585 | -.00001860 |
| 7 | 3p | 58.878873 | .00000994 |
| ORB.ENERGY,a.u. | -22.879000 | ||
| NORM | 1.000000 | < R > | .341207 | < R2 > | .140889 | < 1/R > | 3.700632 | < 1/R**2 > | 18.495105 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.573997 | .38353300 |
| 2 | 2s | 6.559521 | -.81331903 |
| 3 | 3s | 9.417235 | -.28457748 |
| 4 | 4s | 31.773262 | .00124278 |
| 5 | 5s | 18.072554 | -.00873054 |
| 6 | 5s | 7.460585 | .01391394 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .397589 | < R2 > | .184993 | < 1/R > | 3.698478 | < 1/R**2 > | 55.318012 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.189724 | .93731916 |
| 2 | 1s | 25.043066 | .05972941 |
| 3 | 2s | 15.213551 | .02017122 |
| 4 | 3s | 18.735528 | -.01477086 |
| 5 | 4s | 87.184347 | -.00005119 |
| 6 | 5s | 38.842738 | .00079388 |
| 7 | 4s | 3.512660 | -.00001982 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090588 | < R2 > | .010988 | < 1/R > | 16.641842 | < 1/R**2 > | 557.239481 |
Total Energy= -368.19872219 a.u.
Kinetic Energy= 368.21751284 a.u.
Potential Energy= -736.41623503 a.u.
Virial Ratio = -1.99994897