(1s 2 2s 2 2p 5 5d 1 ) 1 D Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | .454615 | 2.27573821 |
| 2 | 4d | .425227 | -5.55610760 |
| 3 | 5d | .397491 | 3.94828744 |
| 4 | 3d | 1.548600 | .02311367 |
| 5 | 5d | 2.279317 | -.00860753 |
| 6 | 4d | 4.606639 | .00320306 |
| 7 | 5d | 8.261085 | .00011884 |
| 8 | 3d | 6.170001 | .00097221 |
| ORB.ENERGY,a.u. | -.080475 | ||
| NORM | 1.000003 | < R > | 17.100579 | < R2 > | 332.369087 | < 1/R > | .081946 | < 1/R**2 > | .014180 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.846207 | 1.40683487 |
| 2 | 3p | 3.457284 | -.51049572 |
| 3 | 2p | 7.774532 | .09951466 |
| 4 | 4p | 8.815130 | .02722347 |
| 5 | 5p | 2.165631 | .02881056 |
| 6 | 4p | 1.920919 | -.03170294 |
| 7 | 5p | 25.940732 | -.00026462 |
| 8 | 4p | 16.608524 | .00057002 |
| ORB.ENERGY,a.u. | -2.465800 | ||
| NORM | 1.000000 | < R > | .738562 | < R2 > | .689059 | < 1/R > | 1.797030 | < 1/R**2 > | 4.610447 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.127343 | .32109740 |
| 2 | 2s | 4.175251 | -.80914808 |
| 3 | 3s | 3.330091 | -.32000743 |
| 4 | 4s | 14.724120 | .01175909 |
| 5 | 3s | 20.015950 | .00192470 |
| 6 | 5s | 27.884064 | .00050415 |
| 7 | 5s | 2.322623 | -.00448227 |
| 8 | 4s | 2.591479 | .00622199 |
| 9 | 3s | 1.395864 | .00151790 |
| 10 | 2s | 77.691636 | .00000222 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .752953 | < R2 > | .677900 | < 1/R > | 1.927148 | < 1/R**2 > | 15.318038 |
| 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= -160.07892080 a.u.
Kinetic Energy= 160.07787298 a.u.
Potential Energy= -320.15679379 a.u.
Virial Ratio = -2.00000655