(1s 2 2s 2 2p 5 5d 1 ) 3 D Na +
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 | .457279 | 2.23131070 |
| 2 | 4d | .425053 | -5.50418263 |
| 3 | 5d | .397441 | 3.94383493 |
| 4 | 3d | 1.565100 | .02300363 |
| 5 | 5d | 2.302453 | -.00856580 |
| 6 | 4d | 4.652547 | .00314587 |
| 7 | 5d | 8.391478 | .00012066 |
| 8 | 3d | 6.272392 | .00091429 |
| ORB.ENERGY,a.u. | -.080475 | ||
| NORM | 1.000004 | < R > | 17.100703 | < R2 > | 332.374680 | < 1/R > | .081945 | < 1/R**2 > | .014180 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.844599 | 1.39418775 |
| 2 | 3p | 3.464786 | -.49762417 |
| 3 | 2p | 7.696754 | .10320840 |
| 4 | 4p | 8.605183 | .02723501 |
| 5 | 5p | 2.332673 | .03655793 |
| 6 | 4p | 2.101346 | -.04288583 |
| 7 | 5p | 27.466418 | -.00015287 |
| 8 | 4p | 12.155728 | .00101760 |
| ORB.ENERGY,a.u. | -2.465800 | ||
| NORM | 1.000000 | < R > | .738562 | < R2 > | .689059 | < 1/R > | 1.797030 | < 1/R**2 > | 4.610446 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.126101 | .32116725 |
| 2 | 2s | 4.161898 | -.81464398 |
| 3 | 3s | 3.308107 | -.31552216 |
| 4 | 4s | 14.767143 | .01149907 |
| 5 | 3s | 19.391655 | .00193207 |
| 6 | 5s | 29.256358 | .00040659 |
| 7 | 5s | 2.210553 | -.02628232 |
| 8 | 4s | 1.952087 | .03058196 |
| 9 | 3s | .787905 | -.00018290 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .752953 | < R2 > | .677900 | < 1/R > | 1.927148 | < 1/R**2 > | 15.318049 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229990 | .91336977 |
| 2 | 1s | 15.492794 | .08642427 |
| 3 | 2s | 5.346024 | .01504029 |
| 4 | 3s | 7.014774 | -.01793801 |
| 5 | 4s | 9.114122 | .01105067 |
| 6 | 5s | 25.924622 | .00104932 |
| 7 | 4s | 58.322120 | -.00005718 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142772 | < R2 > | .027437 | < 1/R > | 10.611086 | < 1/R**2 > | 227.652640 |
Total Energy= -160.07892113 a.u.
Kinetic Energy= 160.07786471 a.u.
Potential Energy= -320.15678584 a.u.
Virial Ratio = -2.00000660