(1s 2 2s 1 4s 1 ) 1 S P 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 4s- electron | |
| 1 | 1s | 9.794516 | .11984801 |
| 2 | 2s | 3.359735 | -1.59901991 |
| 3 | 3s | 3.195257 | 4.64626886 |
| 4 | 4s | 3.082724 | -3.83798111 |
| 5 | 5s | 4.830379 | .24242591 |
| 6 | 4s | 8.127702 | -.08874930 |
| 7 | 5s | 32.253872 | .00076799 |
| 8 | 4s | 46.880504 | .00011278 |
| ORB.ENERGY,a.u. | -4.770000 | ||
| NORM | 1.000000 | < R > | 1.889082 | < R2 > | 3.994178 | < 1/R > | .685735 | < 1/R**2 > | 2.162767 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.384083 | .34597498 |
| 2 | 2s | 3.619429 | -.85578005 |
| 3 | 3s | 8.804802 | -.64806580 |
| 4 | 4s | 4.938774 | .58731901 |
| 5 | 5s | 2.927364 | -.16652330 |
| 6 | 5s | 20.001725 | -.00697197 |
| 7 | 4s | 29.863930 | -.00071979 |
| 8 | 4s | 1.995051 | .05256859 |
| 9 | 2s | 53.741952 | .00005769 |
| 10 | 5s | 1.729985 | -.01531745 |
| 11 | 3s | 1.061955 | .00437383 |
| ORB.ENERGY,a.u. | -21.807000 | ||
| NORM | 1.000000 | < R > | .440848 | < R2 > | .254692 | < 1/R > | 3.465626 | < 1/R**2 > | 48.548131 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.421181 | .93934984 |
| 2 | 1s | 23.161416 | .04769093 |
| 3 | 2s | 17.988248 | .01689370 |
| 4 | 3s | 11.826633 | .00205389 |
| 5 | 4s | 58.335155 | -.00051018 |
| 6 | 5s | 77.061505 | .00018940 |
| 7 | 5s | 6.400946 | .00041282 |
| 8 | 4s | 2.584290 | -.00033742 |
| ORB.ENERGY,a.u. | -97.975000 |
| NORM | 1.000000 | < R > | .102706 | < R2 > | .014119 | < 1/R > | 14.674323 | < 1/R**2 > | 433.248536 |
Total Energy= -242.92124074 a.u.
Kinetic Energy= 242.90100607 a.u.
Potential Energy= -485.82224681 a.u.
Virial Ratio = -2.00008330