(1s 2 2s 2 2p 6 3s 2 3p 1 5d 1 ) 1 P S 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1152.
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 | .934034 | .76035133 |
| 2 | 4d | .655153 | -3.42486544 |
| 3 | 5d | .622586 | 3.30052140 |
| 4 | 3d | 3.253455 | .12112139 |
| 5 | 4d | 4.858971 | -.02801986 |
| 6 | 5d | 2.514065 | .04922871 |
| 7 | 3d | 9.528296 | .00056168 |
| ORB.ENERGY,a.u. | -.193150 | ||
| NORM | 1.000000 | < R > | 10.489922 | < R2 > | 126.406222 | < 1/R > | .144933 | < 1/R**2 > | .055484 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.589240 | .32977923 |
| 2 | 2p | 1.558508 | -.50800245 |
| 3 | 3p | 2.199823 | -.62332706 |
| 4 | 2p | 8.976575 | .09260924 |
| 5 | 3p | 14.374294 | -.00337265 |
| 6 | 4p | 2.578094 | .02584285 |
| 7 | 5p | 1.675317 | .01176038 |
| 8 | 4p | 32.088976 | -.00012838 |
| ORB.ENERGY,a.u. | -1.255200 | ||
| NORM | 1.000000 | < R > | 1.683837 | < R2 > | 3.266993 | < 1/R > | .790398 | < 1/R**2 > | 1.379199 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.233451 | -.39187614 |
| 2 | 1s | 11.340269 | .20565704 |
| 3 | 1s | 47.692250 | .00018769 |
| 4 | 2s | 5.133382 | -.16133965 |
| 5 | 3s | 2.470526 | 1.01163261 |
| 6 | 4s | 4.406340 | .09781346 |
| 7 | 3s | 32.107416 | -.00062762 |
| 8 | 5s | 2.349533 | .07783254 |
| ORB.ENERGY,a.u. | -1.708600 | ||
| NORM | 1.000000 | < R > | 1.543843 | < R2 > | 2.717902 | < 1/R > | .876165 | < 1/R**2 > | 4.445974 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 19.445064 | .00330859 |
| 2 | 2p | 8.913767 | .44649375 |
| 3 | 3p | 6.902533 | .50701503 |
| 4 | 5p | 3.888051 | .00496560 |
| 5 | 4p | 5.530310 | .14861315 |
| 6 | 5p | 30.480474 | -.00020798 |
| 7 | 4p | 34.306264 | -.00017354 |
| 8 | 3p | 1.325908 | .00012699 |
| ORB.ENERGY,a.u. | -7.544900 | ||
| NORM | 1.000000 | < R > | .440037 | < R2 > | .240794 | < 1/R > | 2.959459 | < 1/R**2 > | 12.238383 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.010418 | .36728274 |
| 2 | 2s | 6.305178 | -.76623379 |
| 3 | 3s | 5.327211 | -.16179250 |
| 4 | 4s | 23.819005 | .00247686 |
| 5 | 2s | 5.337346 | -.19451467 |
| 6 | 3s | 17.753723 | .00546587 |
| 7 | 4s | 3.658239 | -.00174380 |
| 8 | 5s | 46.209002 | .00011068 |
| ORB.ENERGY,a.u. | -9.849800 | ||
| NORM | 1.000000 | < R > | .474360 | < R2 > | .266713 | < 1/R > | 3.081741 | < 1/R**2 > | 39.096955 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554947 | 1.01449918 |
| 2 | 2s | 20.544452 | -.02542225 |
| 3 | 3s | 12.090888 | .02045370 |
| 4 | 4s | 16.251136 | -.00018773 |
| 5 | 4s | 31.380004 | .00163461 |
| 6 | 2s | 67.194064 | .00001824 |
| 7 | 5s | 14.508436 | -.00547374 |
| 8 | 3s | 6.587915 | .00045284 |
| 9 | 4s | 3.578109 | -.00001322 |
| ORB.ENERGY,a.u. | -92.338000 |
| NORM | 1.000000 | < R > | .097135 | < R2 > | .012681 | < 1/R > | 15.568106 | < 1/R**2 > | 488.886568 |
Total Energy= -395.28390125 a.u.
Kinetic Energy= 395.27048231 a.u.
Potential Energy= -790.55438356 a.u.
Virial Ratio = -2.00003395