(1s 2 2s 1 3p 1 ) 3 P Si 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 2p | 4.473442 | .99926155 |
| 2 | 3p | 3.730904 | -1.61296727 |
| 3 | 2p | 10.758693 | .03462911 |
| 4 | 4p | 11.521418 | .01641316 |
| 5 | 3p | 52.381166 | .00004826 |
| 6 | 5p | 2.470490 | .00025597 |
| 7 | 4p | 86.283533 | -.00001559 |
| ORB.ENERGY,a.u. | -7.047300 | ||
| NORM | 1.000000 | < R > | 1.083690 | < R2 > | 1.353006 | < 1/R > | 1.285431 | < 1/R**2 > | 3.390455 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.730148 | .40477856 |
| 2 | 2s | 5.782095 | -.79522646 |
| 3 | 3s | 7.441798 | -.29492008 |
| 4 | 5s | 12.509893 | -.02412035 |
| 5 | 4s | 25.125503 | .00493880 |
| 6 | 5s | 33.492807 | -.00102275 |
| 7 | 4s | 3.880892 | -.00068287 |
| 8 | 3s | 52.632636 | .00004595 |
| ORB.ENERGY,a.u. | -18.179000 | ||
| NORM | 1.000000 | < R > | .474272 | < R2 > | .262634 | < 1/R > | 3.105970 | < 1/R**2 > | 38.930871 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.406588 | .93567079 |
| 2 | 1s | 21.341460 | .05222279 |
| 3 | 2s | 16.404943 | .01646273 |
| 4 | 3s | 10.208406 | .00167717 |
| 5 | 4s | 55.872561 | -.00049809 |
| 6 | 5s | 74.462103 | .00018223 |
| 7 | 5s | 17.823700 | .00024845 |
| ORB.ENERGY,a.u. | -84.439000 |
| NORM | 1.000000 | < R > | .110303 | < R2 > | .016291 | < 1/R > | 13.670085 | < 1/R**2 > | 376.192476 |
Total Energy= -213.56403165 a.u.
Kinetic Energy= 213.57900501 a.u.
Potential Energy= -427.14303666 a.u.
Virial Ratio = -1.99992989