(1s 2 2s 2 2p 3 3s 1 ) 5 S Na 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5030.
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 | 3s- electron | |
| 1 | 1s | 9.365972 | .12878423 |
| 2 | 2s | 3.308431 | -.53758452 |
| 3 | 3s | 1.795917 | 1.17845302 |
| 4 | 4s | 8.086460 | -.03886557 |
| 5 | 5s | 14.555740 | -.00234088 |
| 6 | 2s | 30.855879 | .00004882 |
| 7 | 5s | 1.297798 | .05225956 |
| 8 | 4s | 1.163010 | -.06382044 |
| ORB.ENERGY,a.u. | -1.455100 | ||
| NORM | 1.000000 | < R > | 2.096168 | < R2 > | 5.005641 | < 1/R > | .668756 | < 1/R**2 > | 2.734128 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.797692 | 1.45711404 |
| 2 | 3p | 5.014803 | -.58604308 |
| 3 | 4p | 6.336041 | .11940828 |
| 4 | 4p | 16.549960 | -.00338447 |
| 5 | 5p | 3.058163 | .02572606 |
| 6 | 3p | 20.793253 | -.00069226 |
| 7 | 5p | 2.601633 | -.01045251 |
| 8 | 3p | 1.543978 | .00228689 |
| ORB.ENERGY,a.u. | -4.527900 | ||
| NORM | 1.000000 | < R > | .648150 | < R2 > | .518257 | < 1/R > | 1.992790 | < 1/R**2 > | 5.509262 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.948171 | .35123487 |
| 2 | 2s | 4.358597 | -.84296253 |
| 3 | 3s | 3.786084 | -.28784222 |
| 4 | 4s | 1.805207 | -.00796813 |
| 5 | 4s | 18.220604 | .00249480 |
| 6 | 3s | 10.377311 | .02105463 |
| 7 | 5s | 2.769639 | -.01299695 |
| ORB.ENERGY,a.u. | -4.555500 | ||
| NORM | 1.000000 | < R > | .712027 | < R2 > | .603776 | < 1/R > | 2.043136 | < 1/R**2 > | 17.112033 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.162975 | .90095121 |
| 2 | 1s | 15.424321 | .09918090 |
| 3 | 2s | 8.444545 | .01743268 |
| 4 | 3s | 12.022735 | -.01476081 |
| 5 | 4s | 19.269798 | .00309829 |
| 6 | 5s | 32.075636 | .00035930 |
| 7 | 5s | 2.496242 | .00071884 |
| 8 | 4s | 5.052774 | .00043529 |
| ORB.ENERGY,a.u. | -42.494000 |
| NORM | 1.000000 | < R > | .142431 | < R2 > | .027274 | < 1/R > | 10.626237 | < 1/R**2 > | 228.142652 |
Total Energy= -155.28288788 a.u.
Kinetic Energy= 155.30878376 a.u.
Potential Energy= -310.59167164 a.u.
Virial Ratio = -1.99983326