(1s 2 2s 2 2p 5 4d 1 ) 1 P Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | 4d- electron | |
| 1 | 3d | .265899 | 1.72159590 |
| 2 | 4d | .249975 | -2.22724779 |
| 3 | 3d | .530122 | .00697266 |
| 4 | 5d | 2.529213 | -.00048137 |
| 5 | 4d | 7.039169 | .00006384 |
| ORB.ENERGY,a.u. | -.031413 | ||
| NORM | 1.000012 | < R > | 20.884447 | < R2 > | 498.509932 | < 1/R > | .062886 | < 1/R**2 > | .006339 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.721021 | .13347590 |
| 2 | 2p | 2.546993 | .59185972 |
| 3 | 2p | 4.494372 | .30692670 |
| 4 | 2p | 10.226275 | .01861548 |
| 5 | 4p | 2.206706 | .02802284 |
| 6 | 4p | 10.445416 | .01272873 |
| 7 | 3p | 1.612085 | -.01591911 |
| 8 | 3p | 14.228608 | .00215476 |
| ORB.ENERGY,a.u. | -1.347100 | ||
| NORM | 1.000000 | < R > | .875885 | < R2 > | .982022 | < 1/R > | 1.536881 | < 1/R**2 > | 3.420150 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.347323 | .30521384 |
| 2 | 2s | 3.735648 | -.78577830 |
| 3 | 3s | 2.878236 | -.34320047 |
| 4 | 4s | 13.266914 | .01347277 |
| 5 | 3s | 19.416987 | .00184745 |
| 6 | 5s | 1.882901 | -.02332245 |
| 7 | 5s | 24.776733 | .00081912 |
| 8 | 4s | 1.569500 | .02548226 |
| 9 | 3s | 1.014911 | -.00261820 |
| 10 | 2s | 72.488132 | .00000318 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860285 | < R2 > | .890297 | < 1/R > | 1.685606 | < 1/R**2 > | 11.736253 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241481 | .92192178 |
| 2 | 1s | 14.465439 | .08149465 |
| 3 | 2s | 5.555354 | .00857651 |
| 4 | 3s | 13.417624 | -.00702869 |
| 5 | 4s | 19.910659 | .00340374 |
| 6 | 5s | 31.612986 | -.00006290 |
| 7 | 5s | 3.664049 | .00023480 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620053 | < 1/R**2 > | 187.253854 |
Total Energy= -127.84955851 a.u.
Kinetic Energy= 127.84922422 a.u.
Potential Energy= -255.69878273 a.u.
Virial Ratio = -2.00000261