(1s 2 2s 2 2p 6 3s 2 3p 1 4d 1 ) 1 D Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | .402294 | .63607156 |
| 2 | 4d | .257474 | -1.46250134 |
| 3 | 3d | .971855 | .37361768 |
| 4 | 4d | 1.213674 | -.21180718 |
| 5 | 5d | 2.454072 | -.01359201 |
| 6 | 5d | .256199 | .24044102 |
| 7 | 3d | 5.225596 | .00248655 |
| 8 | 4d | 1.209555 | .00101880 |
| ORB.ENERGY,a.u. | -.036392 | ||
| NORM | 1.000002 | < R > | 17.341878 | < R2 > | 350.372231 | < 1/R > | .083692 | < 1/R**2 > | .014547 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.460157 | .24677073 |
| 2 | 2p | 1.041840 | -.83583566 |
| 3 | 3p | 1.575213 | -.24566578 |
| 4 | 2p | 7.023986 | .10080619 |
| 5 | 3p | 9.711874 | -.00983551 |
| 6 | 4p | 1.806897 | .00924699 |
| 7 | 4p | 25.136451 | -.00033632 |
| 8 | 5p | 75.484310 | -.00000932 |
| 9 | 5p | .421127 | .00157018 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.488863 | < R2 > | 7.218855 | < 1/R > | .525976 | < 1/R**2 > | .608676 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.353262 | -.16165042 |
| 2 | 1s | 9.467377 | .18686093 |
| 3 | 1s | 21.613911 | .00221829 |
| 4 | 2s | 4.211230 | -.27190064 |
| 5 | 3s | 1.728014 | .86631995 |
| 6 | 4s | 3.099574 | .14513785 |
| 7 | 5s | 1.556553 | .08496542 |
| 8 | 4s | 45.545684 | -.00005935 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.096166 | < R2 > | 5.064411 | < 1/R > | .633538 | < 1/R**2 > | 2.221207 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.176798 | .48236282 |
| 2 | 3p | 5.436490 | .49325307 |
| 3 | 4p | 4.266324 | .12703951 |
| 4 | 5p | 2.752499 | .00336335 |
| 5 | 2p | 14.232396 | .00945117 |
| 6 | 5p | 31.547603 | -.00045719 |
| 7 | 4p | 45.410965 | -.00008182 |
| 8 | 3p | .865622 | .00012361 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535235 | < R2 > | .359413 | < 1/R > | 2.457006 | < 1/R**2 > | 8.524108 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398920 | .35142035 |
| 2 | 2s | 4.934932 | -.77287049 |
| 3 | 3s | 4.398337 | -.16878813 |
| 4 | 4s | 21.968296 | .00177848 |
| 5 | 2s | 6.453830 | -.18123661 |
| 6 | 3s | 14.466774 | .01040989 |
| 7 | 4s | 3.417292 | -.00405708 |
| 8 | 4s | 61.692610 | -.00002064 |
| 9 | 5s | 1.713837 | -.00008267 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562529 | < R2 > | .376630 | < 1/R > | 2.592181 | < 1/R**2 > | 27.726149 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577905 | 1.01499678 |
| 2 | 2s | 18.820493 | -.02466562 |
| 3 | 3s | 9.622588 | .02347077 |
| 4 | 4s | 48.634188 | -.00008127 |
| 5 | 4s | 27.355000 | .00097347 |
| 6 | 2s | 69.821183 | .00001916 |
| 7 | 5s | 11.890987 | -.00876312 |
| 8 | 3s | 2.583759 | .00063340 |
| 9 | 4s | 2.957865 | -.00051825 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016699 | < 1/R > | 13.581457 | < 1/R**2 > | 372.394934 |
Total Energy= -288.60626226 a.u.
Kinetic Energy= 288.60954383 a.u.
Potential Energy= -577.21580609 a.u.
Virial Ratio = -1.99998863