(1s 2 2s 2 2p 3 3s 1 ) 5 S Si 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5030.
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 | 3s- electron | |
| 1 | 1s | 11.449378 | .16664329 |
| 2 | 2s | 4.303322 | -.74988384 |
| 3 | 3s | 2.794921 | 1.32577213 |
| 4 | 4s | 10.298367 | -.03255611 |
| 5 | 5s | 17.371099 | -.00293104 |
| 6 | 2s | 49.284041 | .00001762 |
| 7 | 5s | 2.867425 | -.01375636 |
| ORB.ENERGY,a.u. | -3.792600 | ||
| NORM | 1.000000 | < R > | 1.402671 | < R2 > | 2.237202 | < 1/R > | 1.019828 | < 1/R**2 > | 6.388127 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.230782 | 1.36860076 |
| 2 | 3p | 6.723764 | -.46046076 |
| 3 | 4p | 8.300794 | .09178593 |
| 4 | 5p | 4.768554 | .01007176 |
| 5 | 4p | 21.032351 | -.00280450 |
| 6 | 3p | 25.320864 | -.00070162 |
| 7 | 4p | 5.631940 | -.00824253 |
| ORB.ENERGY,a.u. | -10.354000 | ||
| NORM | 1.000000 | < R > | .464554 | < R2 > | .263966 | < 1/R > | 2.753097 | < 1/R**2 > | 10.394611 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.059683 | .39567181 |
| 2 | 2s | 5.928792 | -.86642491 |
| 3 | 3s | 5.346840 | -.29492007 |
| 4 | 4s | 22.718607 | .00319334 |
| 5 | 4s | 2.536753 | -.00290463 |
| 6 | 3s | 11.938733 | .02444495 |
| 7 | 5s | 3.957461 | -.01353374 |
| 8 | 3s | 26.007764 | .00033350 |
| ORB.ENERGY,a.u. | -10.422000 | ||
| NORM | 1.000000 | < R > | .524947 | < R2 > | .325815 | < 1/R > | 2.786752 | < 1/R**2 > | 31.745356 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.172128 | .93036044 |
| 2 | 1s | 20.690124 | .06814858 |
| 3 | 2s | 12.858039 | .01764367 |
| 4 | 3s | 17.285998 | -.01443643 |
| 5 | 4s | 27.176587 | .00268920 |
| 6 | 5s | 11.635185 | .00117226 |
| 7 | 5s | 3.940982 | .00075741 |
| ORB.ENERGY,a.u. | -74.117000 |
| NORM | 1.000000 | < R > | .110984 | < R2 > | .016535 | < 1/R > | 13.614781 | < 1/R**2 > | 373.794565 |
Total Energy= -266.37200474 a.u.
Kinetic Energy= 266.41398451 a.u.
Potential Energy= -532.78598925 a.u.
Virial Ratio = -1.99984243