(1s 2 2s 2 2p 2 5d 1 ) 4 P Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4152.
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 | 2.785131 | 1.57462399 |
| 2 | 4d | 2.393310 | -4.30359684 |
| 3 | 5d | 2.190194 | 3.40770261 |
| 4 | 3d | 6.535857 | .04139729 |
| 5 | 5d | 9.974648 | -.00715029 |
| 6 | 4d | 38.104213 | .00013952 |
| 7 | 5d | 1.683092 | -.01464710 |
| 8 | 5d | 52.159781 | -.00006286 |
| ORB.ENERGY,a.u. | -2.473000 | ||
| NORM | 1.000002 | < R > | 3.062028 | < R2 > | 10.647934 | < 1/R > | .455493 | < 1/R**2 > | .430443 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.714912 | 1.14313727 |
| 2 | 3p | 7.846073 | -.16522846 |
| 3 | 2p | 15.950232 | .02313809 |
| 4 | 4p | 18.046994 | .00861615 |
| 5 | 5p | 25.251235 | -.00086109 |
| 6 | 5p | 7.932675 | -.01002960 |
| 7 | 3p | 40.261846 | .00012574 |
| ORB.ENERGY,a.u. | -21.287000 | ||
| NORM | 1.000000 | < R > | .351527 | < R2 > | .149848 | < 1/R > | 3.603146 | < 1/R**2 > | 17.607098 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.333215 | .43070191 |
| 2 | 2s | 7.485244 | -.86879843 |
| 3 | 3s | 7.640530 | -.28603544 |
| 4 | 4s | 28.815218 | .00201949 |
| 5 | 3s | 15.621422 | .01706265 |
| 6 | 5s | 7.683644 | -.02026184 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .404040 | < R2 > | .191233 | < 1/R > | 3.634328 | < 1/R**2 > | 53.565464 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.060950 | .92144476 |
| 2 | 1s | 24.150551 | .07730255 |
| 3 | 2s | 15.029817 | .01928485 |
| 4 | 3s | 18.604032 | -.01560982 |
| 5 | 5s | 40.475308 | .00084980 |
| 6 | 4s | 97.241651 | -.00003104 |
| 7 | 5s | 12.596705 | .00032678 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090728 | < R2 > | .011030 | < 1/R > | 16.625466 | < 1/R**2 > | 556.390022 |
Total Energy= -383.64284800 a.u.
Kinetic Energy= 383.63549022 a.u.
Potential Energy= -767.27833822 a.u.
Virial Ratio = -2.00001918