(1s 2 2s 2 2p 1 3p 1 ) 1 D Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1231.
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 | 5.792002 | .36849804 |
| 2 | 3p | 4.049738 | -1.29848693 |
| 3 | 2p | 14.609165 | .00354577 |
| 4 | 4p | 7.501421 | .08061659 |
| 5 | 5p | 23.542530 | .00066098 |
| 6 | 5p | 3.925728 | .04443714 |
| 7 | 4p | 3.368396 | -.02291628 |
| ORB.ENERGY,a.u. | -8.862600 | ||
| NORM | 1.000000 | < R > | .973840 | < R2 > | 1.046621 | < 1/R > | 1.162581 | < 1/R**2 > | 1.752161 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.914810 | 1.06255364 |
| 2 | 3p | 3.941190 | -.34774931 |
| 3 | 2p | 11.934060 | .08766108 |
| 4 | 5p | 15.660569 | .00533936 |
| 5 | 4p | 28.547498 | -.00130830 |
| 6 | 5p | 3.801364 | .02074573 |
| 7 | 3p | 26.523957 | -.00139156 |
| 8 | 4p | 2.992422 | -.00628271 |
| ORB.ENERGY,a.u. | -22.935000 | ||
| NORM | 1.000000 | < R > | .328083 | < R2 > | .146751 | < 1/R > | 3.932827 | < 1/R**2 > | 20.618581 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.570996 | .38377528 |
| 2 | 2s | 6.562343 | -.81363484 |
| 3 | 3s | 9.415887 | -.28475825 |
| 4 | 4s | 31.608558 | .00127287 |
| 5 | 5s | 18.129653 | -.00857582 |
| 6 | 5s | 7.485739 | .01413183 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .397480 | < R2 > | .184887 | < 1/R > | 3.699620 | < 1/R**2 > | 55.350685 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.189216 | .93730142 |
| 2 | 1s | 25.030610 | .05980935 |
| 3 | 2s | 15.184615 | .02010107 |
| 4 | 3s | 18.692059 | -.01477913 |
| 5 | 4s | 87.066671 | -.00005157 |
| 6 | 5s | 38.862552 | .00078965 |
| 7 | 5s | 4.398835 | -.00001941 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090586 | < R2 > | .010988 | < 1/R > | 16.642025 | < 1/R**2 > | 557.246887 |
Total Energy= -368.27386484 a.u.
Kinetic Energy= 367.62328405 a.u.
Potential Energy= -735.89714889 a.u.
Virial Ratio = -2.00176969