(1s 2 2s 2 2p 6 3s 2 3p 4 5p 1 ) 2 D Cl 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 5p- electron | |
| 1 | 5p | 1.942171 | -.04928955 |
| 2 | 3p | .310388 | 2.32734376 |
| 3 | 4p | .310092 | -2.49882631 |
| 4 | 5p | .470670 | -.42883898 |
| 5 | 3p | 2.460665 | -.07934711 |
| 6 | 2p | 5.775815 | .02241207 |
| 7 | 2p | 10.995227 | .00363472 |
| 8 | 4p | 34.182629 | -.00002533 |
| ORB.ENERGY,a.u. | -.202270 | ||
| NORM | 1.000005 | < R > | 16.724350 | < R2 > | 315.412509 | < 1/R > | .077285 | < 1/R**2 > | .016385 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 1.826568 | -1.04410772 |
| 2 | 3p | 4.104402 | -.38802015 |
| 3 | 2p | 9.315013 | .09342104 |
| 4 | 3p | 12.888992 | -.00541886 |
| 5 | 5p | 1.798137 | -.08218685 |
| 6 | 4p | 2.011041 | -.10852113 |
| 7 | 5p | .320409 | -.00469269 |
| 8 | 3p | .222997 | .00280426 |
| 9 | 5p | 37.026967 | -.00025602 |
| 10 | 4p | 54.778111 | -.00004970 |
| 11 | 2p | 3.538747 | .78605201 |
| ORB.ENERGY,a.u. | -.592220 | ||
| NORM | 1.000000 | < R > | 1.707850 | < R2 > | 3.424610 | < 1/R > | .783089 | < 1/R**2 > | 1.356744 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.185643 | .79331922 |
| 2 | 1s | 9.575107 | .16725417 |
| 3 | 2s | 5.069186 | -.64410405 |
| 4 | 3s | 2.567413 | .46052114 |
| 5 | 4s | 5.003230 | .04049538 |
| 6 | 2s | 9.828896 | -.15338242 |
| 7 | 2s | 16.834587 | -.00694245 |
| 8 | 5s | 1.661268 | -.04694268 |
| 9 | 4s | 29.041336 | .00053568 |
| ORB.ENERGY,a.u. | -1.213500 | ||
| NORM | 1.000000 | < R > | 1.506743 | < R2 > | 2.618756 | < 1/R > | .901594 | < 1/R**2 > | 4.716782 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.398171 | .46606779 |
| 2 | 3p | 7.267674 | .51307511 |
| 3 | 4p | 5.781163 | .11690255 |
| 4 | 5p | 3.735602 | .00319553 |
| 5 | 2p | 19.418457 | .00433968 |
| 6 | 5p | 37.750876 | -.00021230 |
| 7 | 3p | 1.486604 | .00043778 |
| 8 | 4p | 103.852195 | .00000331 |
| 9 | 3p | 29.375758 | -.00015104 |
| ORB.ENERGY,a.u. | -7.865700 | ||
| NORM | 1.000000 | < R > | .405533 | < R2 > | .204086 | < 1/R > | 3.202469 | < 1/R**2 > | 14.284712 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.761980 | .37486451 |
| 2 | 2s | 6.932919 | -.76838556 |
| 3 | 3s | 6.439931 | -.16180136 |
| 4 | 4s | 28.145724 | .00175084 |
| 5 | 2s | 4.830180 | -.19791525 |
| 6 | 3s | 17.541340 | .00664665 |
| 7 | 4s | 2.930278 | -.00137114 |
| 8 | 5s | 1.333933 | -.00001758 |
| ORB.ENERGY,a.u. | -10.336000 | ||
| NORM | 1.000000 | < R > | .441504 | < R2 > | .230939 | < 1/R > | 3.315868 | < 1/R**2 > | 45.244323 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577185 | 1.01112592 |
| 2 | 2s | 20.731017 | -.01850428 |
| 3 | 3s | 15.043883 | .01709840 |
| 4 | 4s | 62.499031 | -.00037537 |
| 5 | 4s | 8.164747 | .00126624 |
| 6 | 5s | 80.837922 | .00010689 |
| 7 | 5s | 8.243930 | -.00055029 |
| 8 | 2s | 28.331296 | -.00339261 |
| 9 | 2s | 165.784838 | .00000212 |
| 10 | 3s | 2.246149 | -.00002177 |
| ORB.ENERGY,a.u. | -104.100000 |
| NORM | 1.000000 | < R > | .091293 | < R2 > | .011199 | < 1/R > | 16.559970 | < 1/R**2 > | 552.993615 |
Total Energy= -459.09180429 a.u.
Kinetic Energy= 459.09145012 a.u.
Potential Energy= -918.18325441 a.u.
Virial Ratio = -2.00000077