(1s 2 2s 2 2p 4 5s 1 ) 2 P Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2150.
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 | 5s- electron | |
| 1 | 1s | 9.751995 | .03181385 |
| 2 | 2s | 2.890755 | -.15350164 |
| 3 | 3s | 1.287701 | .88354022 |
| 4 | 4s | .874422 | -2.30682513 |
| 5 | 5s | .722433 | 2.18111544 |
| 6 | 5s | 9.480038 | -.01094238 |
| 7 | 4s | 12.515354 | -.00514264 |
| 8 | 5s | 41.325280 | -.00007564 |
| ORB.ENERGY,a.u. | -.250900 | ||
| NORM | .999996 | < R > | 9.001790 | < R2 > | 90.756655 | < 1/R > | .153473 | < 1/R**2 > | .202356 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.199117 | 1.35664153 |
| 2 | 3p | 3.880233 | -.42341373 |
| 3 | 2p | 8.725370 | .06067510 |
| 4 | 4p | 9.897336 | .02029526 |
| 5 | 5p | 23.854459 | .00039464 |
| 6 | 4p | 38.798336 | .00009763 |
| 7 | 4p | 2.194129 | -.02308667 |
| 8 | 5p | 2.465446 | .02065406 |
| ORB.ENERGY,a.u. | -3.399700 | ||
| NORM | 1.000000 | < R > | .689445 | < R2 > | .592051 | < 1/R > | 1.895742 | < 1/R**2 > | 5.052114 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.942367 | .29221369 |
| 2 | 2s | 3.442758 | -.75573636 |
| 3 | 3s | 5.986823 | -.23762520 |
| 4 | 4s | 4.297092 | -.05595865 |
| 5 | 5s | 12.493032 | -.01246117 |
| 6 | 5s | 1.075559 | -.02144671 |
| 7 | 3s | .568462 | .04007837 |
| 8 | 4s | .624493 | -.01751732 |
| 9 | 4s | 47.954518 | -.00009134 |
| 10 | 2s | 1.410811 | -.00747994 |
| 11 | 3s | 85.902673 | -.00001082 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .727169 | < R2 > | .629490 | < 1/R > | 1.993590 | < 1/R**2 > | 16.316199 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.244508 | .91145709 |
| 2 | 1s | 15.451984 | .08702093 |
| 3 | 2s | 5.934082 | .01759720 |
| 4 | 3s | 7.456480 | -.01800145 |
| 5 | 4s | 9.340557 | .00918478 |
| 6 | 5s | 26.308556 | .00115637 |
| 7 | 4s | 61.665054 | -.00004462 |
| 8 | 5s | .994186 | .00150742 |
| 9 | 4s | .747806 | -.00154642 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142640 | < R2 > | .027377 | < 1/R > | 10.616948 | < 1/R**2 > | 227.842260 |
Total Energy= -157.67688089 a.u.
Kinetic Energy= 157.67447334 a.u.
Potential Energy= -315.35135423 a.u.
Virial Ratio = -2.00001527