(1s 2 2s 2 2p 3 3d 1 ) 3 D Cl 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 3d- electron | |
| 1 | 3d | 3.409203 | 1.06187686 |
| 2 | 3d | 8.732719 | .02213485 |
| 3 | 4d | 4.096099 | -.07338702 |
| 4 | 5d | 27.986890 | -.00009991 |
| ORB.ENERGY,a.u. | -5.679000 | ||
| NORM | 1.000000 | < R > | 1.011116 | < R2 > | 1.175969 | < 1/R > | 1.165456 | < 1/R**2 > | 1.655984 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.771847 | 1.26953651 |
| 2 | 3p | 8.829540 | -.35246281 |
| 3 | 4p | 11.217626 | .07542058 |
| 4 | 4p | 4.222372 | .00552863 |
| 5 | 5p | 21.897874 | .00421139 |
| 6 | 5p | 21.520123 | -.00093368 |
| 7 | 5p | 4.027363 | -.00496976 |
| 8 | 3p | 2.892916 | .00319890 |
| ORB.ENERGY,a.u. | -18.122000 | ||
| NORM | 1.000000 | < R > | .361688 | < R2 > | .159210 | < 1/R > | 3.516370 | < 1/R**2 > | 16.846902 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.369446 | .41885027 |
| 2 | 2s | 7.395821 | -.86561362 |
| 3 | 3s | 7.138262 | -.29032242 |
| 4 | 4s | 28.872396 | .00189671 |
| 5 | 3s | 15.634530 | .01588480 |
| 6 | 5s | 7.027893 | -.01465857 |
| ORB.ENERGY,a.u. | -18.579000 | ||
| NORM | 1.000000 | < R > | .413402 | < R2 > | .200727 | < 1/R > | 3.548257 | < 1/R**2 > | 51.259658 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.181006 | .94115615 |
| 2 | 1s | 25.223028 | .05648992 |
| 3 | 2s | 14.523559 | .01862948 |
| 4 | 3s | 20.373092 | -.01477423 |
| 5 | 4s | 30.980943 | .00269711 |
| 6 | 5s | 59.396859 | .00009364 |
| 7 | 5s | 12.038679 | .00048195 |
| ORB.ENERGY,a.u. | -114.870000 |
| NORM | 1.000000 | < R > | .090890 | < R2 > | .011078 | < 1/R > | 16.606539 | < 1/R**2 > | 555.406340 |
Total Energy= -406.46612968 a.u.
Kinetic Energy= 406.34746045 a.u.
Potential Energy= -812.81359013 a.u.
Virial Ratio = -2.00029204