(1s 2 2s 2 2p 4 5d 1 ) 4 D Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4252.
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 | .835521 | 1.12789290 |
| 2 | 4d | .620125 | -4.76668869 |
| 3 | 5d | .613017 | 4.34946047 |
| 4 | 3d | 1.845205 | .08882819 |
| 5 | 5d | 2.772054 | -.02188916 |
| 6 | 4d | 5.414558 | .00752168 |
| 7 | 5d | 9.582561 | .00032630 |
| 8 | 3d | 7.583227 | .00156803 |
| ORB.ENERGY,a.u. | -.187600 | ||
| NORM | 1.000005 | < R > | 10.953846 | < R2 > | 136.686784 | < 1/R > | .130545 | < 1/R**2 > | .038430 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.198451 | 1.36302467 |
| 2 | 3p | 3.877533 | -.42987731 |
| 3 | 2p | 8.722230 | .06027224 |
| 4 | 4p | 9.931160 | .01943137 |
| 5 | 5p | 24.939716 | .00029357 |
| 6 | 5p | 2.329955 | .02046230 |
| 7 | 4p | 40.475428 | .00007699 |
| 8 | 4p | 2.037490 | -.02191751 |
| ORB.ENERGY,a.u. | -3.422100 | ||
| NORM | 1.000000 | < R > | .689502 | < R2 > | .592233 | < 1/R > | 1.895789 | < 1/R**2 > | 5.052670 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.072775 | .33501977 |
| 2 | 2s | 4.233932 | -.82982887 |
| 3 | 3s | 3.564091 | -.29484463 |
| 4 | 4s | 13.921658 | .01114404 |
| 5 | 3s | 15.639167 | .00442503 |
| 6 | 5s | 28.321184 | .00037380 |
| 7 | 5s | 2.488267 | -.00033989 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .727611 | < R2 > | .629073 | < 1/R > | 1.992293 | < 1/R**2 > | 16.297307 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243691 | .91123752 |
| 2 | 1s | 15.432394 | .08737153 |
| 3 | 2s | 5.654470 | .01836900 |
| 4 | 3s | 7.093765 | -.01930404 |
| 5 | 4s | 9.046581 | .00951085 |
| 6 | 5s | 26.199950 | .00114883 |
| 7 | 4s | 61.705428 | -.00004728 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142636 | < R2 > | .027371 | < 1/R > | 10.617101 | < 1/R**2 > | 227.847416 |
Total Energy= -157.60879192 a.u.
Kinetic Energy= 157.61134416 a.u.
Potential Energy= -315.22013607 a.u.
Virial Ratio = -1.99998381