(1s 2 2s 2 2p 5 4d 1 ) 1 P S 6+
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 | 1.921799 | 1.55764607 |
| 2 | 4d | 1.748464 | -2.05576533 |
| 3 | 5d | 19.988187 | -.00010226 |
| 4 | 3d | 7.809070 | .01105603 |
| 5 | 4d | 4.873093 | .00898325 |
| ORB.ENERGY,a.u. | -1.546200 | ||
| NORM | 1.000001 | < R > | 2.959509 | < R2 > | 10.037270 | < 1/R > | .448278 | < 1/R**2 > | .329676 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.371920 | 1.20404021 |
| 2 | 3p | 6.331770 | -.27629425 |
| 3 | 2p | 12.139604 | .07131320 |
| 4 | 5p | 36.380052 | -.00014474 |
| 5 | 4p | 14.672717 | .01084111 |
| 6 | 5p | 2.635534 | .00053215 |
| ORB.ENERGY,a.u. | -11.464000 | ||
| NORM | 1.000000 | < R > | .419817 | < R2 > | .217070 | < 1/R > | 3.072176 | < 1/R**2 > | 13.063382 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.882473 | .38205349 |
| 2 | 2s | 6.655766 | -.83781158 |
| 3 | 3s | 5.961066 | -.30393317 |
| 4 | 4s | 18.217481 | .00463635 |
| 5 | 3s | 19.187257 | .00674943 |
| 6 | 5s | 35.003032 | .00050292 |
| 7 | 5s | 5.301677 | -.00424761 |
| 8 | 4s | 3.931761 | .00142995 |
| 9 | 3s | 3.374459 | -.00026202 |
| 10 | 2s | 87.988559 | .00000567 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .462769 | < R2 > | .252809 | < 1/R > | 3.158937 | < 1/R**2 > | 40.919556 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.178525 | .92260221 |
| 2 | 1s | 22.237839 | .07365609 |
| 3 | 2s | 9.340489 | .02084059 |
| 4 | 3s | 11.626415 | -.02138508 |
| 5 | 4s | 14.468334 | .01062873 |
| 6 | 5s | 38.415070 | .00077053 |
| 7 | 4s | 88.672179 | -.00003325 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097012 | < R2 > | .012642 | < 1/R > | 15.580498 | < 1/R**2 > | 489.490774 |
Total Energy= -378.87621873 a.u.
Kinetic Energy= 378.83049600 a.u.
Potential Energy= -757.70671473 a.u.
Virial Ratio = -2.00012069