(1s 2 2s 2 2p 6 3s 2 3p 2 5s 1 ) 2 P S +
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 | 13.087385 | .02074789 |
| 2 | 2s | 5.488120 | -.07069306 |
| 3 | 3s | 2.120437 | .20650584 |
| 4 | 4s | .983833 | -.98114119 |
| 5 | 5s | .624681 | 1.20204714 |
| 6 | 4s | 13.045079 | -.00257814 |
| 7 | 3s | .639999 | .18738070 |
| 8 | 5s | 4.845253 | .03002722 |
| ORB.ENERGY,a.u. | -.318290 | ||
| NORM | .999999 | < R > | 9.285481 | < R2 > | 96.380379 | < 1/R > | .140783 | < 1/R**2 > | .149109 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.509498 | .32521847 |
| 2 | 2p | 1.460529 | -.76384343 |
| 3 | 3p | 2.165042 | -.35533261 |
| 4 | 2p | 8.881369 | .09044312 |
| 5 | 4p | 1.481375 | .02819794 |
| 6 | 3p | 13.811436 | -.00378055 |
| 7 | 4p | 32.304621 | -.00013568 |
| 8 | 3p | .556335 | -.00112544 |
| ORB.ENERGY,a.u. | -.994800 | ||
| NORM | 1.000000 | < R > | 1.771155 | < R2 > | 3.631802 | < 1/R > | .748963 | < 1/R**2 > | 1.236220 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.329419 | 1.99266237 |
| 2 | 1s | 15.529259 | .03857368 |
| 3 | 2s | 5.602829 | -1.06029441 |
| 4 | 3s | 1.450341 | -.17927733 |
| 5 | 4s | 4.557994 | -.36832628 |
| 6 | 5s | 7.334287 | -.12329867 |
| 7 | 4s | .524959 | .00491193 |
| 8 | 3s | 84.414423 | -.00004423 |
| 9 | 4s | 53.962410 | -.00016945 |
| 10 | 2s | 143.689771 | -.00000328 |
| ORB.ENERGY,a.u. | -1.548400 | ||
| NORM | 1.000001 | < R > | 1.596522 | < R2 > | 2.920492 | < 1/R > | .845792 | < 1/R**2 > | 4.122642 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.080904 | .42991560 |
| 2 | 3p | 7.049692 | .50741454 |
| 3 | 4p | 5.662933 | .16635777 |
| 4 | 5p | 4.164821 | .00817840 |
| 5 | 2p | 26.901110 | .00118954 |
| 6 | 3p | 27.537922 | .00066090 |
| 7 | 4p | 1.916423 | .00037321 |
| 8 | 5p | 47.081859 | -.00002712 |
| ORB.ENERGY,a.u. | -7.085200 | ||
| NORM | 1.000000 | < R > | .440618 | < R2 > | .241533 | < 1/R > | 2.956528 | < 1/R**2 > | 12.217472 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.999462 | .36726138 |
| 2 | 2s | 6.341242 | -.76538154 |
| 3 | 3s | 5.384987 | -.16479596 |
| 4 | 4s | 25.379420 | .00216873 |
| 5 | 2s | 5.214411 | -.19276995 |
| 6 | 3s | 16.762124 | .00650637 |
| 7 | 4s | 3.706932 | -.00344357 |
| 8 | 5s | 51.418896 | .00004647 |
| ORB.ENERGY,a.u. | -9.396800 | ||
| NORM | 1.000000 | < R > | .475044 | < R2 > | .267590 | < 1/R > | 3.077602 | < 1/R**2 > | 39.001450 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554482 | 1.01449644 |
| 2 | 2s | 21.754817 | -.02193050 |
| 3 | 3s | 10.719213 | .02053619 |
| 4 | 4s | 64.131791 | -.00032722 |
| 5 | 4s | 11.369605 | .00171430 |
| 6 | 5s | 84.417793 | .00010260 |
| 7 | 5s | 13.172989 | -.00938982 |
| 8 | 2s | 193.177824 | .00000083 |
| 9 | 3s | 1.964632 | -.00011795 |
| 10 | 2s | 1.509293 | .00012097 |
| 11 | 3s | 163.770979 | -.00000063 |
| ORB.ENERGY,a.u. | -91.855000 |
| NORM | 1.000000 | < R > | .097143 | < R2 > | .012684 | < 1/R > | 15.567265 | < 1/R**2 > | 488.845700 |
Total Energy= -396.49915612 a.u.
Kinetic Energy= 396.49598802 a.u.
Potential Energy= -792.99514414 a.u.
Virial Ratio = -2.00000799