(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 1 S S 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1051.
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 | 5p- electron | |
| 1 | 4p | 14.964662 | .00063604 |
| 2 | 5p | 2.171048 | -.18243515 |
| 3 | 4p | .958012 | 1.44418559 |
| 4 | 5p | .746787 | -1.71055116 |
| 5 | 3p | 2.497118 | -.12982680 |
| 6 | 2p | 10.877076 | .00557464 |
| 7 | 2p | 5.089154 | .04076670 |
| ORB.ENERGY,a.u. | -.260620 | ||
| NORM | 1.000000 | < R > | 8.361304 | < R2 > | 77.770538 | < 1/R > | .146527 | < 1/R**2 > | .043501 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 8.973250 | .09527163 |
| 2 | 3p | 14.137170 | -.00361653 |
| 3 | 4p | 1.053176 | .10253558 |
| 4 | 5p | .729412 | -.11725192 |
| 5 | 4p | 32.011860 | -.00015104 |
| 6 | 2p | 4.604005 | .34071488 |
| 7 | 2p | 1.701557 | -.44064464 |
| 8 | 3p | 2.151241 | -.69350637 |
| ORB.ENERGY,a.u. | -1.255200 | ||
| NORM | 1.000000 | < R > | 1.669059 | < R2 > | 3.498583 | < 1/R > | .811298 | < 1/R**2 > | 1.452453 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.958519 | -.41617372 |
| 2 | 1s | 11.414491 | .19991507 |
| 3 | 1s | 51.589840 | .00014373 |
| 4 | 2s | 5.309310 | -.15612519 |
| 5 | 3s | 2.530818 | 1.02988849 |
| 6 | 4s | 4.467109 | .08716603 |
| 7 | 3s | 32.805378 | -.00063392 |
| 8 | 5s | 2.398293 | .10432725 |
| ORB.ENERGY,a.u. | -1.708600 | ||
| NORM | 1.000000 | < R > | 1.542191 | < R2 > | 2.711856 | < 1/R > | .877214 | < 1/R**2 > | 4.457716 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 19.505957 | .00327245 |
| 2 | 2p | 8.914587 | .44642547 |
| 3 | 3p | 6.902443 | .50709618 |
| 4 | 5p | 3.901994 | .00492628 |
| 5 | 4p | 5.530673 | .14863577 |
| 6 | 5p | 30.111207 | -.00020678 |
| 7 | 4p | 34.147064 | -.00017413 |
| 8 | 3p | 1.464702 | .00012365 |
| ORB.ENERGY,a.u. | -7.544900 | ||
| NORM | 1.000000 | < R > | .440058 | < R2 > | .240810 | < 1/R > | 2.959282 | < 1/R**2 > | 12.236916 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.010095 | .36726542 |
| 2 | 2s | 6.304874 | -.76623724 |
| 3 | 3s | 5.326089 | -.16180921 |
| 4 | 4s | 23.817701 | .00247458 |
| 5 | 2s | 5.337544 | -.19451157 |
| 6 | 3s | 17.703607 | .00547848 |
| 7 | 4s | 3.683673 | -.00174553 |
| 8 | 5s | 46.063399 | .00011744 |
| ORB.ENERGY,a.u. | -9.849800 | ||
| NORM | 1.000000 | < R > | .474395 | < R2 > | .266754 | < 1/R > | 3.081493 | < 1/R**2 > | 39.091047 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554867 | 1.01450075 |
| 2 | 2s | 20.546537 | -.02542405 |
| 3 | 3s | 12.088480 | .02045878 |
| 4 | 4s | 16.289367 | -.00018715 |
| 5 | 4s | 31.381961 | .00163452 |
| 6 | 2s | 66.445839 | .00001881 |
| 7 | 5s | 14.503118 | -.00547651 |
| 8 | 3s | 6.590162 | .00045232 |
| 9 | 4s | 3.597448 | -.00001418 |
| ORB.ENERGY,a.u. | -92.338000 |
| NORM | 1.000000 | < R > | .097136 | < R2 > | .012682 | < 1/R > | 15.567997 | < 1/R**2 > | 488.881198 |
Total Energy= -395.34881761 a.u.
Kinetic Energy= 395.33780247 a.u.
Potential Energy= -790.68662008 a.u.
Virial Ratio = -2.00002786