(1s 2 2s 2 2p 3 5d 1 ) 3 D F +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | .499797 | 1.66614519 |
| 2 | 4d | .417086 | -4.90431976 |
| 3 | 5d | .394605 | 4.08118436 |
| 4 | 3d | 3.084033 | .00537058 |
| 5 | 4d | .310377 | -.12003375 |
| 6 | 5d | 2.280558 | .00396023 |
| 7 | 4d | 12.035095 | .00002665 |
| ORB.ENERGY,a.u. | -.080417 | ||
| NORM | 1.000014 | < R > | 17.135486 | < R2 > | 333.366684 | < 1/R > | .081183 | < 1/R**2 > | .013572 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.519432 | .74399509 |
| 2 | 2p | 4.227430 | .26296319 |
| 3 | 2p | 8.743575 | .01864788 |
| 4 | 3p | 2.395009 | -.00146569 |
| 5 | 4p | 2.317701 | .02091810 |
| 6 | 5p | 11.075391 | .00331797 |
| ORB.ENERGY,a.u. | -2.181400 | ||
| NORM | 1.000000 | < R > | .878135 | < R2 > | .959299 | < 1/R > | 1.487040 | < 1/R**2 > | 3.109535 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.503609 | .31433383 |
| 2 | 2s | 3.315045 | -.84069364 |
| 3 | 3s | 2.765468 | -.27054604 |
| 4 | 4s | 10.994292 | .01353969 |
| 5 | 3s | 12.353050 | .00762503 |
| 6 | 5s | 3.543623 | -.00585541 |
| 7 | 5s | 39.324190 | -.00010618 |
| 8 | 3s | 1.261517 | -.00033983 |
| 9 | 4s | 60.288227 | -.00001933 |
| 10 | 2s | 38.057446 | .00000547 |
| ORB.ENERGY,a.u. | -1.920100 | ||
| NORM | 1.000000 | < R > | .920704 | < R2 > | 1.008941 | < 1/R > | 1.565580 | < 1/R**2 > | 10.028924 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.101035 | .85266048 |
| 2 | 1s | 11.754400 | .15409212 |
| 3 | 2s | 8.326663 | -.00543716 |
| 4 | 3s | 5.324408 | .00321736 |
| 5 | 4s | 17.445923 | .00395301 |
| 6 | 5s | 51.336000 | .00002554 |
| 7 | 3s | 75.392003 | .00000704 |
| 8 | 5s | 2.476986 | .00005334 |
| ORB.ENERGY,a.u. | -26.471000 |
| NORM | 1.000000 | < R > | .175513 | < R2 > | .041467 | < 1/R > | 8.636920 | < 1/R**2 > | 151.003818 |
Total Energy= -97.69070637 a.u.
Kinetic Energy= 97.68939836 a.u.
Potential Energy= -195.38010473 a.u.
Virial Ratio = -2.00001339