(1s 2 2s 2 2p 6 3s 1 5d 1 ) 1 D Cl 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 5d- electron | |
| 1 | 3d | 1.453412 | 1.54740263 |
| 2 | 4d | 1.379637 | -3.93717276 |
| 3 | 5d | 1.223809 | 2.92175190 |
| 4 | 3d | 3.330094 | .30521702 |
| 5 | 4d | 4.146364 | -.16058505 |
| 6 | 5d | 8.461327 | -.01019142 |
| 7 | 3d | 14.589521 | .00036426 |
| ORB.ENERGY,a.u. | -.761700 | ||
| NORM | 1.000004 | < R > | 5.385197 | < R2 > | 33.047414 | < 1/R > | .266225 | < 1/R**2 > | .160987 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.988275 | -.06633806 |
| 2 | 1s | 4.502259 | .05936263 |
| 3 | 1s | 13.549296 | .13817893 |
| 4 | 2s | 6.134996 | -.52210039 |
| 5 | 3s | 2.870970 | .82981095 |
| 6 | 4s | 3.759693 | .33227946 |
| 7 | 5s | 7.381505 | -.02960510 |
| 8 | 4s | 25.060803 | .00161180 |
| 9 | 3s | 24.953158 | .00067452 |
| ORB.ENERGY,a.u. | -3.489900 | ||
| NORM | 1.000000 | < R > | 1.288043 | < R2 > | 1.878593 | < 1/R > | 1.069748 | < 1/R**2 > | 6.812785 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.644672 | .44490474 |
| 2 | 3p | 7.652953 | .48750312 |
| 3 | 5p | 5.417961 | .00997468 |
| 4 | 4p | 6.385347 | .16001327 |
| 5 | 2p | 21.333615 | .00284549 |
| 6 | 5p | 39.938911 | -.00014922 |
| 7 | 3p | 85.308486 | .00000272 |
| ORB.ENERGY,a.u. | -10.990000 | ||
| NORM | 1.000000 | < R > | .401954 | < R2 > | .199869 | < 1/R > | 3.223316 | < 1/R**2 > | 14.444393 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.676573 | .38024881 |
| 2 | 2s | 7.052082 | -.83716019 |
| 3 | 3s | 6.209252 | -.29884888 |
| 4 | 4s | 28.250363 | .00187149 |
| 5 | 3s | 16.659059 | .00847773 |
| 6 | 2s | 2.578821 | -.01410435 |
| 7 | 4s | 3.249331 | .00510096 |
| 8 | 5s | 64.082285 | .00001470 |
| ORB.ENERGY,a.u. | -13.632000 | ||
| NORM | 1.000000 | < R > | .439136 | < R2 > | .228146 | < 1/R > | 3.332629 | < 1/R**2 > | 45.659379 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.580280 | 1.01106420 |
| 2 | 2s | 20.556457 | -.01842251 |
| 3 | 3s | 15.149728 | .01696652 |
| 4 | 4s | 60.297215 | -.00039680 |
| 5 | 4s | 8.473727 | .00134945 |
| 6 | 5s | 77.048908 | .00010886 |
| 7 | 5s | 8.738605 | -.00052489 |
| 8 | 2s | 28.684050 | -.00344851 |
| 9 | 2s | 147.222971 | .00000338 |
| 10 | 3s | 1.914016 | -.00000877 |
| ORB.ENERGY,a.u. | -107.620000 |
| NORM | 1.000000 | < R > | .091260 | < R2 > | .011190 | < 1/R > | 16.563965 | < 1/R**2 > | 553.203742 |
Total Energy= -449.71212825 a.u.
Kinetic Energy= 449.69213048 a.u.
Potential Energy= -899.40425873 a.u.
Virial Ratio = -2.00004447