(1s 2 2s 2 2p 1 5d 1 ) 1 P Si 8+
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 | 1.784826 | 3.60305517 |
| 2 | 4d | 1.802631 | -9.05715925 |
| 3 | 5d | 1.814002 | 6.11866634 |
| 4 | 3d | 5.583427 | .03005450 |
| 5 | 5d | 1.301010 | .03175704 |
| 6 | 5d | 8.241409 | -.00936733 |
| 7 | 4d | 20.854748 | .00005097 |
| 8 | 4d | 1.031467 | -.01563821 |
| 9 | 3d | 23.173969 | .00004669 |
| ORB.ENERGY,a.u. | -1.632200 | ||
| NORM | 1.000001 | < R > | 3.796024 | < R2 > | 16.368845 | < 1/R > | .367324 | < 1/R**2 > | .278234 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.647131 | 1.10926036 |
| 2 | 3p | 6.994375 | -.12959358 |
| 3 | 2p | 14.068815 | .01373394 |
| 4 | 5p | 11.884235 | .00602143 |
| 5 | 4p | 2.989328 | -.00054427 |
| 6 | 5p | 18.309310 | .00351423 |
| 7 | 5p | 4.160313 | .00138174 |
| ORB.ENERGY,a.u. | -14.345000 | ||
| NORM | 1.000000 | < R > | .431022 | < R2 > | .225073 | < 1/R > | 2.935738 | < 1/R**2 > | 11.679089 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.153506 | .36489149 |
| 2 | 2s | 5.188040 | -.80613459 |
| 3 | 3s | 7.608449 | -.28119233 |
| 4 | 4s | 26.399928 | .00128510 |
| 5 | 5s | 14.951624 | -.01207255 |
| 6 | 5s | 5.840947 | .02043664 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494242 | < R2 > | .285936 | < 1/R > | 2.961942 | < 1/R**2 > | 35.500085 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162303 | .92547380 |
| 2 | 1s | 20.205624 | .07499897 |
| 3 | 2s | 11.654538 | .01894090 |
| 4 | 3s | 14.528925 | -.01694393 |
| 5 | 4s | 67.730006 | -.00007274 |
| 6 | 5s | 32.557621 | .00074983 |
| 7 | 4s | 4.815856 | .00002640 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110546 | < R2 > | .016376 | < 1/R > | 13.649346 | < 1/R**2 > | 375.272051 |
Total Energy= -240.21563019 a.u.
Kinetic Energy= 240.18956050 a.u.
Potential Energy= -480.40519069 a.u.
Virial Ratio = -2.00010854